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

Systemtic Name: 1-(3-methoxyphenyl)-3-[(5-nitro-2-oxidanylidene-indol-3-yl)amino]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[(5-nitro-2-oxo-indol-3-yl)amino]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[(5-nitro-2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-[(2-keto-5-nitro-indol-3-yl)amino]-3-(3-methoxyphenyl)thiourea Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S/c1-25-11-4-2-3-9(7-11)17-16(26)20-19-14-12-8-10(21(23)24)5-6-13(12)18-15(14)22/h2-8H,1H3,(H2,17,20,26)(H,18,19,22)