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

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-nitro-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropyl-3-nitro-phenyl)-2-piperazin-1-yl-butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-[3-nitro-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-nitro-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylbutanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropyl-3-nitro-phenyl)-2-piperazino-butyramide Formula: C27H35N5O4S MolecularWeight: 525.6629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)[N+](=O)[O-])C(C)C)NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)[N+](=O)[O-])C(C)C)NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4

InChI

InChI=1S/C27H35N5O4S/c1-17(2)19-9-10-21(32(34)35)24(18(3)4)25(19)30-26(33)22(31-14-12-28-13-15-31)11-16-37-27-29-20-7-5-6-8-23(20)36-27/h5-10,17-18,22,28H,11-16H2,1-4H3,(H,30,33)