methyl 2-[3-[4-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propylsulfanyl]-1,3-benzoxazole-7-carboxylate

Systemtic Name: methyl 2-[3-[4-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]propylsulfanyl]-1,3-benzoxazole-7-carboxylate Openeye Name: methyl 2-[3-[4-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]piperazin-1-yl]propylsulfanyl]-1,3-benzoxazole-7-carboxylate CAS Name: 2-[3-[4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-1-piperazinyl]propylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperazin-1-yl]propylsulfanyl]-1,3-benzoxazole-7-carboxylate Traditional Name: 2-[3-[4-[2-(2,6-diisopropylanilino)-2-keto-ethyl]piperazino]propylthio]-1,3-benzoxazole-7-carboxylic acid methyl ester Formula: C30H40N4O4S MolecularWeight: 552.728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCN(CC2)CCCSC3=NC4=CC=CC(=C4O3)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCN(CC2)CCCSC3=NC4=CC=CC(=C4O3)C(=O)OC

InChI

InChI=1S/C30H40N4O4S/c1-20(2)22-9-6-10-23(21(3)4)27(22)32-26(35)19-34-16-14-33(15-17-34)13-8-18-39-30-31-25-12-7-11-24(28(25)38-30)29(36)37-5/h6-7,9-12,20-21H,8,13-19H2,1-5H3,(H,32,35)