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

Systemtic Name: S-[2-[[2-(hexylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl] 2-methylbenzenecarbothioate Openeye Name: S-[2-[[2-(hexylamino)-2-oxo-ethyl]carbamoyl]phenyl] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[2-[[[2-(hexylamino)-2-oxoethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[2-(hexylamino)-2-oxoethyl]carbamoyl]phenyl] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[2-[[2-(hexylamino)-2-keto-ethyl]carbamoyl]phenyl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c1-3-4-5-10-15-24-21(26)16-25-22(27)19-13-8-9-14-20(19)29-23(28)18-12-7-6-11-17(18)2/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,24,26)(H,25,27)