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

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-nitro-3-oxidanyl-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxy-2,6-diisopropyl-4-nitro-phenyl)-2-piperazin-1-yl-butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-N-[3-hydroxy-4-nitro-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-hydroxy-4-nitro-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylbutanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-N-(3-hydroxy-2,6-diisopropyl-4-nitro-phenyl)-2-piperazino-butyramide Formula: C27H35N5O5S MolecularWeight: 541.6623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4)C(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1NC(=O)C(CCSC2=NC3=CC=CC=C3O2)N4CCNCC4)C(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O5S/c1-16(2)18-15-21(32(35)36)25(33)23(17(3)4)24(18)30-26(34)20(31-12-10-28-11-13-31)9-14-38-27-29-19-7-5-6-8-22(19)37-27/h5-8,15-17,20,28,33H,9-14H2,1-4H3,(H,30,34)