ethyl N-[[2-(2-azanylethanoylamino)-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate; methanesulfonic acid

Systemtic Name: ethyl N-[[2-(2-azanylethanoylamino)-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate; methanesulfonic acid Openeye Name: ethyl N-[[2-[(2-aminoacetyl)amino]-5-phenylsulfanyl-phenyl]carbamothioyl]carbamate; methanesulfonic acid CAS Name: N-[[2-[(2-amino-1-oxoethyl)amino]-5-(phenylthio)anilino]-sulfanylidenemethyl]carbamic acid ethyl ester; methanesulfonic acid IUPAC Name: ethyl N-[[2-[(2-aminoacetyl)amino]-5-phenylsulfanylphenyl]carbamothioyl]carbamate; methanesulfonic acid Traditional Name: N-[[2-(glycylamino)-5-(phenylthio)phenyl]thiocarbamoyl]carbamic acid ethyl ester; mesylic acid Formula: C19H24N4O6S3 MolecularWeight: 500.61206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)CN.CS(=O)(=O)O

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=O)CN.CS(=O)(=O)O

InChI

InChI=1S/C18H20N4O3S2.CH4O3S/c1-2-25-18(24)22-17(26)21-15-10-13(27-12-6-4-3-5-7-12)8-9-14(15)20-16(23)11-19;1-5(2,3)4/h3-10H,2,11,19H2,1H3,(H,20,23)(H2,21,22,24,26);1H3,(H,2,3,4)