1-[2-[(E)-2-[1-(carbamothioylamino)-5-methyl-cyclohexa-2,4-dien-1-yl]ethenyl]phenyl]thiourea dihydrobromide

Systemtic Name: 1-[2-[(E)-2-[1-(carbamothioylamino)-5-methyl-cyclohexa-2,4-dien-1-yl]ethenyl]phenyl]thiourea dihydrobromide Openeye Name: [2-[(E)-2-[1-(carbamothioylamino)-5-methyl-cyclohexa-2,4-dien-1-yl]vinyl]phenyl]thiourea dihydrobromide CAS Name: [2-[(E)-2-[1-(carbamothioylamino)-5-methyl-1-cyclohexa-2,4-dienyl]ethenyl]phenyl]thiourea dihydrobromide IUPAC Name: [2-[(E)-2-[1-(carbamothioylamino)-5-methylcyclohexa-2,4-dien-1-yl]ethenyl]phenyl]thiourea dihydrobromide Traditional Name: [2-[(E)-2-(5-methyl-1-thioureido-cyclohexa-2,4-dien-1-yl)vinyl]phenyl]thiourea dihydrobromide Formula: C17H22Br2N4S2 MolecularWeight: 506.32138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(C1)(C=CC2=CC=CC=C2NC(=S)N)NC(=S)N.Br.Br

Isomeric SMILES

CC1=CC=CC(C1)(/C=C/C2=CC=CC=C2NC(=S)N)NC(=S)N.Br.Br

InChI

InChI=1S/C17H20N4S2.2BrH/c1-12-5-4-9-17(11-12,21-16(19)23)10-8-13-6-2-3-7-14(13)20-15(18)22;;/h2-10H,11H2,1H3,(H3,18,20,22)(H3,19,21,23);2*1H/b10-8+;;