1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-(4-indolin-1-ylsulfonylphenyl)-3-(3-nitrophenyl)thiourea CAS Name: 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-(4-indolin-1-ylsulfonylphenyl)-3-(3-nitrophenyl)thiourea Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S2/c26-25(27)18-6-3-5-17(14-18)23-21(30)22-16-8-10-19(11-9-16)31(28,29)24-13-12-15-4-1-2-7-20(15)24/h1-11,14H,12-13H2,(H2,22,23,30)