1-[1-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-(4-methoxyphenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=C(C=CC1=O)Br)NNC(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=C1C=C(C=CC1=O)Br)NNC(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H16BrN3O2S/c1-10(14-9-11(17)3-8-15(14)21)19-20-16(23)18-12-4-6-13(22-2)7-5-12/h3-9,19H,1-2H3,(H2,18,20,23)