1-[1-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-propan-2-yl-thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=C(C=CC1=O)Br)NNC(=S)NC(C)C

Isomeric SMILES

CCC(=C1C=C(C=CC1=O)Br)NNC(=S)NC(C)C

InChI

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