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

Systemtic Name: 1-[(3-ethoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-ethoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-ethoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3-ethoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(3-ethoxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC(=S)NCC2=CC=CC=C2)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CNNC(=S)NCC2=CC=CC=C2)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-2-25-15-9-13(8-14(16(15)22)21(23)24)11-19-20-17(26)18-10-12-6-4-3-5-7-12/h3-9,11,19H,2,10H2,1H3,(H2,18,20,26)