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

Systemtic Name: methyl N-[[2-[2-(methylamino)ethanoylamino]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-[[2-(methylamino)acetyl]amino]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[2-(methylamino)-1-oxoethyl]amino]-5-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-[[2-(methylamino)acetyl]amino]-5-phenylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[5-(phenylthio)-2-(sarcosylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S2/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)