methyl 4-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(2-bromoanilino)-2-oxo-ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(2-bromoanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-bromoanilino)-2-oxoethyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(2-bromoanilino)-2-keto-ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCC(=O)NC1=CC=CC=C1Br

Isomeric SMILES

COC(=O)CCCNC(=S)NCC(=O)NC1=CC=CC=C1Br

InChI

InChI=1S/C14H18BrN3O3S/c1-21-13(20)7-4-8-16-14(22)17-9-12(19)18-11-6-3-2-5-10(11)15/h2-3,5-6H,4,7-9H2,1H3,(H,18,19)(H2,16,17,22)