N-[[4-[3-(decylcarbamoyl)phenyl]sulfanylphenyl]carbamoyl]-2-nitro-benzamide

Systemtic Name: N-[[4-[3-(decylcarbamoyl)phenyl]sulfanylphenyl]carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-[3-(decylcarbamoyl)phenyl]sulfanylphenyl]carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[[3-[(decylamino)-oxomethyl]phenyl]thio]anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-[3-(decylcarbamoyl)phenyl]sulfanylphenyl]carbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-[[3-(decylcarbamoyl)phenyl]thio]phenyl]carbamoyl]-2-nitro-benzamide Formula: C31H36N4O5S MolecularWeight: 576.70634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)C1=CC(=CC=C1)SC2=CC=C(C=C2)NC(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCNC(=O)C1=CC(=CC=C1)SC2=CC=C(C=C2)NC(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C31H36N4O5S/c1-2-3-4-5-6-7-8-11-21-32-29(36)23-13-12-14-26(22-23)41-25-19-17-24(18-20-25)33-31(38)34-30(37)27-15-9-10-16-28(27)35(39)40/h9-10,12-20,22H,2-8,11,21H2,1H3,(H,32,36)(H2,33,34,37,38)