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

Systemtic Name: 4-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-[3-nitro-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-butanamide Openeye Name: N-(2,6-diisopropyl-3-nitro-phenyl)-4-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]-2-piperazin-1-yl-butanamide CAS Name: 4-[(7-nitro-1,3-benzoxazol-2-yl)thio]-N-[3-nitro-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)butanamide IUPAC Name: 4-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-[3-nitro-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylbutanamide Traditional Name: N-(2,6-diisopropyl-3-nitro-phenyl)-4-[(7-nitro-1,3-benzoxazol-2-yl)thio]-2-piperazino-butyramide Formula: C27H34N6O6S MolecularWeight: 570.66046

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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=C(O2)C(=CC=C3)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)[N+](=O)[O-])C(C)C)NC(=O)C(CCSC2=NC3=C(O2)C(=CC=C3)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C27H34N6O6S/c1-16(2)18-8-9-20(32(35)36)23(17(3)4)24(18)30-26(34)22(31-13-11-28-12-14-31)10-15-40-27-29-19-6-5-7-21(33(37)38)25(19)39-27/h5-9,16-17,22,28H,10-15H2,1-4H3,(H,30,34)