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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2-piperazin-1-yl-N-[2,4,6-tri(propan-2-yl)phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2-piperazin-1-yl-N-(2,4,6-triisopropylphenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-2-(1-piperazinyl)-N-[2,4,6-tri(propan-2-yl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-2-piperazin-1-yl-N-[2,4,6-tri(propan-2-yl)phenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-2-piperazino-N-(2,4,6-triisopropylphenyl)butyramide Formula: C30H42N4OS2 MolecularWeight: 538.81068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)NC(=O)C(CCSC2=NC3=CC=CC=C3S2)N4CCNCC4)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)NC(=O)C(CCSC2=NC3=CC=CC=C3S2)N4CCNCC4)C(C)C

InChI

InChI=1S/C30H42N4OS2/c1-19(2)22-17-23(20(3)4)28(24(18-22)21(5)6)33-29(35)26(34-14-12-31-13-15-34)11-16-36-30-32-25-9-7-8-10-27(25)37-30/h7-10,17-21,26,31H,11-16H2,1-6H3,(H,33,35)