N-[2,6-di(propan-2-yl)phenyl]-4-[(7-ethanoyl-1,3-benzoxazol-2-yl)sulfanyl]-N-ethyl-2-piperazin-1-yl-butanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-4-[(7-ethanoyl-1,3-benzoxazol-2-yl)sulfanyl]-N-ethyl-2-piperazin-1-yl-butanamide Openeye Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,6-diisopropylphenyl)-N-ethyl-2-piperazin-1-yl-butanamide CAS Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)thio]-N-[2,6-di(propan-2-yl)phenyl]-N-ethyl-2-(1-piperazinyl)butanamide IUPAC Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]-N-ethyl-2-piperazin-1-ylbutanamide Traditional Name: 4-[(7-acetyl-1,3-benzoxazol-2-yl)thio]-N-(2,6-diisopropylphenyl)-N-ethyl-2-piperazino-butyramide Formula: C31H42N4O3S MolecularWeight: 550.75518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC=C1C(C)C)C(C)C)C(=O)C(CCSC2=NC3=CC=CC(=C3O2)C(=O)C)N4CCNCC4

Isomeric SMILES

CCN(C1=C(C=CC=C1C(C)C)C(C)C)C(=O)C(CCSC2=NC3=CC=CC(=C3O2)C(=O)C)N4CCNCC4

InChI

InChI=1S/C31H42N4O3S/c1-7-35(28-23(20(2)3)10-8-11-24(28)21(4)5)30(37)27(34-17-15-32-16-18-34)14-19-39-31-33-26-13-9-12-25(22(6)36)29(26)38-31/h8-13,20-21,27,32H,7,14-19H2,1-6H3