1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C15H13ClN4O3S MolecularWeight: 364.80672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H13ClN4O3S/c16-12-6-11(14(21)13(7-12)20(22)23)9-18-19-15(24)17-8-10-4-2-1-3-5-10/h1-7,9,18H,8H2,(H2,17,19,24)