1-[(4-methoxy-3-nitro-phenyl)methyl]-3-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-[(4-methoxy-3-nitro-phenyl)methyl]-3-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(4-methoxy-3-nitro-phenyl)methyl]-3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(4-methoxy-3-nitrophenyl)methyl]-3-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]thiourea IUPAC Name: 1-[(4-methoxy-3-nitrophenyl)methyl]-3-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(4-methoxy-3-nitro-benzyl)thiourea Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NNC=C2C=CC=CC2=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NNC=C2C=CC=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-24-15-7-6-11(8-13(15)20(22)23)9-17-16(25)19-18-10-12-4-2-3-5-14(12)21/h2-8,10,18H,9H2,1H3,(H2,17,19,25)