S-(methylamino) N-[2-(4-methylphenyl)-3-(sulfonylamino)-2-thiomorpholin-4-yl-propanoyl]carbamothioate

Systemtic Name: S-(methylamino) N-[2-(4-methylphenyl)-3-(sulfonylamino)-2-thiomorpholin-4-yl-propanoyl]carbamothioate Openeye Name: S-(methylamino) N-[2-(p-tolyl)-3-(sulfonylamino)-2-thiomorpholino-propanoyl]carbamothioate CAS Name: N-[2-(4-methylphenyl)-1-oxo-3-(sulfonylamino)-2-thiomorpholin-4-ylpropyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[2-(4-methylphenyl)-3-(sulfonylamino)-2-thiomorpholin-4-ylpropanoyl]carbamothioate Traditional Name: N-[2-(p-tolyl)-3-(sulfonylamino)-2-thiomorpholino-propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C16H22N4O4S3 MolecularWeight: 430.56528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN=S(=O)=O)(C(=O)NC(=O)SNC)N2CCSCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(CN=S(=O)=O)(C(=O)NC(=O)SNC)N2CCSCC2

InChI

InChI=1S/C16H22N4O4S3/c1-12-3-5-13(6-4-12)16(11-18-27(23)24,20-7-9-25-10-8-20)14(21)19-15(22)26-17-2/h3-6,17H,7-11H2,1-2H3,(H,19,21,22)