1-[[(Z)-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[(Z)-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[(Z)-(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea CAS Name: 1-[[(Z)-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[(Z)-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Traditional Name: 1-benzyl-3-[[(Z)-(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea Formula: C16H16N4O4S MolecularWeight: 360.38764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=S)NCC2=CC=CC=C2)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C/C(=C\NNC(=S)NCC2=CC=CC=C2)/C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-24-14-8-12(7-13(15(14)21)20(22)23)10-18-19-16(25)17-9-11-5-3-2-4-6-11/h2-8,10,18H,9H2,1H3,(H2,17,19,25)/b12-10-