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

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-methyl-thiourea CAS Name: 1-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1-methylthiourea Traditional Name: 3-benzyl-1-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-methyl-thiourea Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC=C2C=C(C(=O)C(=C2)Br)OC

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC=C2C=C(C(=O)C(=C2)Br)OC

InChI

InChI=1S/C17H18BrN3O2S/c1-21(17(24)19-10-12-6-4-3-5-7-12)20-11-13-8-14(18)16(22)15(9-13)23-2/h3-9,11,20H,10H2,1-2H3,(H,19,24)