S-[2-[[2-(butylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl] 2-methylbenzenecarbothioate

Systemtic Name: S-[2-[[2-(butylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl] 2-methylbenzenecarbothioate Openeye Name: S-[2-[[2-(butylamino)-2-oxo-ethyl]carbamoyl]phenyl] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[2-[[[2-(butylamino)-2-oxoethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[2-(butylamino)-2-oxoethyl]carbamoyl]phenyl] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[2-[[2-(butylamino)-2-keto-ethyl]carbamoyl]phenyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CNC(=O)C1=CC=CC=C1SC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCNC(=O)CNC(=O)C1=CC=CC=C1SC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C21H24N2O3S/c1-3-4-13-22-19(24)14-23-20(25)17-11-7-8-12-18(17)27-21(26)16-10-6-5-9-15(16)2/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)(H,23,25)