1-(3-chloranyl-2-methyl-phenyl)-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(2-keto-5-nitro-indol-3-yl)amino]thiourea Formula: C16H12ClN5O3S MolecularWeight: 389.81618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN5O3S/c1-8-11(17)3-2-4-12(8)19-16(26)21-20-14-10-7-9(22(24)25)5-6-13(10)18-15(14)23/h2-7H,1H3,(H,18,20,23)(H2,19,21,26)