6-[[(3-nitrophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(3-nitrophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(3-nitrophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(3-nitrophenyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(3-nitrophenyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(3-nitrobenzyl)amino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC(=CC=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C23H20N4O3S/c24-23(28)21-22(31-18-7-2-1-3-8-18)19-10-9-16(12-20(19)26-21)14-25-13-15-5-4-6-17(11-15)27(29)30/h1-12,25-26H,13-14H2,(H2,24,28)