2-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-N-[2,4,6-tri(propan-2-yl)phenyl]butanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-N-[2,4,6-tri(propan-2-yl)phenyl]butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-N-(2,4,6-triisopropylphenyl)butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-2-(1-piperazinyl)-N-[2,4,6-tri(propan-2-yl)phenyl]butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-2-piperazin-1-yl-N-[2,4,6-tri(propan-2-yl)phenyl]butanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-2-piperazino-N-(2,4,6-triisopropylphenyl)butyramide Formula: C30H42N4O2S MolecularWeight: 522.74508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(N2CCNCC2)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(N2CCNCC2)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C30H42N4O2S/c1-8-30(34-15-13-31-14-16-34,37-29-32-25-11-9-10-12-26(25)36-29)28(35)33-27-23(20(4)5)17-22(19(2)3)18-24(27)21(6)7/h9-12,17-21,31H,8,13-16H2,1-7H3,(H,33,35)