2,3-dimethyl-N-(3-nitro-5-phenylsulfanyl-phenyl)-1-(phenylmethyl)indole-5-carboxamide

Systemtic Name: 2,3-dimethyl-N-(3-nitro-5-phenylsulfanyl-phenyl)-1-(phenylmethyl)indole-5-carboxamide Openeye Name: 1-benzyl-2,3-dimethyl-N-(3-nitro-5-phenylsulfanyl-phenyl)indole-5-carboxamide CAS Name: 2,3-dimethyl-N-[3-nitro-5-(phenylthio)phenyl]-1-(phenylmethyl)-5-indolecarboxamide IUPAC Name: 1-benzyl-2,3-dimethyl-N-(3-nitro-5-phenylsulfanylphenyl)indole-5-carboxamide Traditional Name: 1-benzyl-2,3-dimethyl-N-[3-nitro-5-(phenylthio)phenyl]indole-5-carboxamide Formula: C30H25N3O3S MolecularWeight: 507.6028

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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=CC=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC3=CC(=CC(=C3)SC4=CC=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5)C

InChI

InChI=1S/C30H25N3O3S/c1-20-21(2)32(19-22-9-5-3-6-10-22)29-14-13-23(15-28(20)29)30(34)31-24-16-25(33(35)36)18-27(17-24)37-26-11-7-4-8-12-26/h3-18H,19H2,1-2H3,(H,31,34)