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

Systemtic Name: 1-[1-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-butyl-thiourea Openeye Name: 1-[1-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-butyl-thiourea CAS Name: 1-[1-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]-3-butylthiourea IUPAC Name: 1-[1-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]-3-butylthiourea Traditional Name: 1-[1-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)ethylamino]-3-butyl-thiourea Formula: C13H18BrN3OS MolecularWeight: 344.27052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=C1C=C(C=CC1=O)Br)C

Isomeric SMILES

CCCCNC(=S)NNC(=C1C=C(C=CC1=O)Br)C

InChI

InChI=1S/C13H18BrN3OS/c1-3-4-7-15-13(19)17-16-9(2)11-8-10(14)5-6-12(11)18/h5-6,8,16H,3-4,7H2,1-2H3,(H2,15,17,19)