N-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-3-[(2-methylthiazol-4-yl)methylsulfanyl]propanamide CAS Name: N-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-3-[(2-methyl-4-thiazolyl)methylthio]propanamide IUPAC Name: N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-[4-(4-methylpiperazine-1-carbonyl)benzyl]-3-[(2-methylthiazol-4-yl)methylthio]propionamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H28N4O2S2/c1-16-23-19(15-29-16)14-28-12-7-20(26)22-13-17-3-5-18(6-4-17)21(27)25-10-8-24(2)9-11-25/h3-6,15H,7-14H2,1-2H3,(H,22,26)