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

Systemtic Name: 1-[4-[[5-bromanyl-6-oxidanylidene-3-(phenylmethyl)cyclohexa-2,4-dien-1-ylidene]methylamino]phenyl]thiourea Openeye Name: [4-[(3-benzyl-5-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea CAS Name: [4-[[5-bromo-6-oxo-3-(phenylmethyl)-1-cyclohexa-2,4-dienylidene]methylamino]phenyl]thiourea IUPAC Name: [4-[(3-benzyl-5-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Traditional Name: [4-[(3-benzyl-5-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]thiourea Formula: C21H18BrN3OS MolecularWeight: 440.35612

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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)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=CNC3=CC=C(C=C3)NC(=S)N)C(=O)C(=C2)Br

InChI

InChI=1S/C21H18BrN3OS/c22-19-12-15(10-14-4-2-1-3-5-14)11-16(20(19)26)13-24-17-6-8-18(9-7-17)25-21(23)27/h1-9,11-13,24H,10H2,(H3,23,25,27)