1-(2-methylphenyl)-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 1-[(5-nitro-2-oxo-indol-3-yl)amino]-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(o-tolyl)thiourea Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S/c1-9-4-2-3-5-12(9)18-16(25)20-19-14-11-8-10(21(23)24)6-7-13(11)17-15(14)22/h2-8H,1H3,(H,17,19,22)(H2,18,20,25)