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

Systemtic Name: 1-[(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-bromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNNC(=S)NCC2=CC=CC=C2)C1=O)Br

Isomeric SMILES

COC1=CC(=CC(=CNNC(=S)NCC2=CC=CC=C2)C1=O)Br

InChI

InChI=1S/C16H16BrN3O2S/c1-22-14-8-13(17)7-12(15(14)21)10-19-20-16(23)18-9-11-5-3-2-4-6-11/h2-8,10,19H,9H2,1H3,(H2,18,20,23)