N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-1-benzyl-2,3-dimethyl-indole-5-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-1-benzyl-2,3-dimethylindole-5-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-1-benzyl-2,3-dimethyl-indole-5-carboxamide Formula: C31H24N4O3S2 MolecularWeight: 564.67726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC3=CC(=CC(=C3)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-])CC6=CC=CC=C6)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC3=CC(=CC(=C3)SC4=NC5=CC=CC=C5S4)[N+](=O)[O-])CC6=CC=CC=C6)C

InChI

InChI=1S/C31H24N4O3S2/c1-19-20(2)34(18-21-8-4-3-5-9-21)28-13-12-22(14-26(19)28)30(36)32-23-15-24(35(37)38)17-25(16-23)39-31-33-27-10-6-7-11-29(27)40-31/h3-17H,18H2,1-2H3,(H,32,36)