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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O2S/c1-3-11(10-8-9(14)4-5-12(10)18)16-17-13(20)15-6-7-19-2/h4-5,8,16H,3,6-7H2,1-2H3,(H2,15,17,20)