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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O4S/c1-2-25-13-5-3-12(4-6-13)19-16(26)20-18-9-10-7-11(17)8-14(15(10)22)21(23)24/h3-9,18H,2H2,1H3,(H2,19,20,26)