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

Systemtic Name: 1-[4-[[5-nitro-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]thiourea Openeye Name: [4-[(3-benzyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea CAS Name: [4-[[5-nitro-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]phenyl]thiourea IUPAC Name: [4-[(3-benzyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Traditional Name: [4-[(3-benzyl-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=CNC3=CC=C(C=C3)NC(=S)N)C(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CNC3=CC=C(C=C3)NC(=S)N)C(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c22-21(29)24-18-8-6-17(7-9-18)23-13-16-11-15(10-14-4-2-1-3-5-14)12-19(20(16)26)25(27)28/h1-9,11-13,23H,10H2,(H3,22,24,29)