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

Systemtic Name: 1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-p-anisyl-thiourea Formula: C16H15ClN4O4S MolecularWeight: 394.8327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O4S/c1-25-13-4-2-10(3-5-13)8-18-16(26)20-19-9-11-6-12(17)7-14(15(11)22)21(23)24/h2-7,9,19H,8H2,1H3,(H2,18,20,26)