methyl 2-[[4-[[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]methylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[4-[[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[4-[[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]carbamoyl]phenyl]methylamino]-3-methyl-butanoate CAS Name: 2-[[4-[[[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]amino]-oxomethyl]phenyl]methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[4-[[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]methylamino]-3-methylbutanoate Traditional Name: 2-[[4-[[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]carbamoyl]benzyl]amino]-3-methyl-butyric acid methyl ester Formula: C31H37N5O5S2 MolecularWeight: 623.78598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC(C)C(C(=O)OC)NCC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C31H37N5O5S2/c1-20(2)27(30(40)41-4)32-17-22-8-10-24(11-9-22)28(38)34-31-33-18-26(43-31)42-19-23-6-5-7-25(16-23)29(39)36-14-12-35(13-15-36)21(3)37/h5-11,16,18,20,27,32H,12-15,17,19H2,1-4H3,(H,33,34,38)