1-[(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-butyl-thiourea

Systemtic Name: 1-[(3-bromanyl-5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-butyl-thiourea Openeye Name: 1-[(3-bromo-5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-butyl-thiourea CAS Name: 1-[(3-bromo-5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-butylthiourea IUPAC Name: 1-[(3-bromo-5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-butylthiourea Traditional Name: 1-[(3-bromo-6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-butyl-thiourea Formula: C13H18BrN3O2S MolecularWeight: 360.26992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC=C1C=C(C=C(C1=O)OC)Br

Isomeric SMILES

CCCCNC(=S)NNC=C1C=C(C=C(C1=O)OC)Br

InChI

InChI=1S/C13H18BrN3O2S/c1-3-4-5-15-13(20)17-16-8-9-6-10(14)7-11(19-2)12(9)18/h6-8,16H,3-5H2,1-2H3,(H2,15,17,20)