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

Systemtic Name: S-(methylamino) N-butyl-N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]carbamothioate Openeye Name: S-(methylamino) N-butyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]carbamothioate CAS Name: N-butyl-N-[2-(4-methylphenyl)-1-oxo-3-(sulfonylamino)propyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-butyl-N-[2-(4-methylphenyl)-3-(sulfonylamino)propanoyl]carbamothioate Traditional Name: N-butyl-N-[2-(p-tolyl)-3-(sulfonylamino)propanoyl]thiocarbamic acid S-(methylamino) ester Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C(CN=S(=O)=O)C1=CC=C(C=C1)C)C(=O)SNC

Isomeric SMILES

CCCCN(C(=O)C(CN=S(=O)=O)C1=CC=C(C=C1)C)C(=O)SNC

InChI

InChI=1S/C16H23N3O4S2/c1-4-5-10-19(16(21)24-17-3)15(20)14(11-18-25(22)23)13-8-6-12(2)7-9-13/h6-9,14,17H,4-5,10-11H2,1-3H3