methyl N-[[2-[2-(methylamino)ethanoylamino]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate hydrobromide

Systemtic Name: methyl N-[[2-[2-(methylamino)ethanoylamino]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate hydrobromide Openeye Name: methyl N-[[2-[[2-(methylamino)acetyl]amino]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate hydrobromide CAS Name: N-[[2-[[2-(methylamino)-1-oxoethyl]amino]-5-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester hydrobromide IUPAC Name: methyl N-[[2-[[2-(methylamino)acetyl]amino]-5-phenylsulfanylphenyl]carbamothioyl]carbamate hydrobromide Traditional Name: N-[[5-(phenylthio)-2-(sarcosylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester hydrobromide Formula: C18H21BrN4O3S2 MolecularWeight: 485.41834

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=S)NC(=O)OC.Br

Isomeric SMILES

CNCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2)NC(=S)NC(=O)OC.Br

InChI

InChI=1S/C18H20N4O3S2.BrH/c1-19-11-16(23)20-14-9-8-13(27-12-6-4-3-5-7-12)10-15(14)21-17(26)22-18(24)25-2;/h3-10,19H,11H2,1-2H3,(H,20,23)(H2,21,22,24,26);1H