methyl 3-[(4-bromophenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(4-bromophenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(4-bromophenyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(4-bromophenyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C16H15BrN2O2S MolecularWeight: 379.2715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H15BrN2O2S/c1-10-3-4-11(15(20)21-2)9-14(10)19-16(22)18-13-7-5-12(17)6-8-13/h3-9H,1-2H3,(H2,18,19,22)