S-[2-[[2-(ethylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[2-(ethylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[2-(ethylamino)-2-oxo-ethyl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[2-[[[2-(ethylamino)-2-oxoethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[2-[[2-(ethylamino)-2-keto-ethyl]carbamoyl]phenyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCNC(=O)CNC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H22N2O5S/c1-4-21-18(23)12-22-19(24)14-7-5-6-8-17(14)28-20(25)13-9-10-15(26-2)16(11-13)27-3/h5-11H,4,12H2,1-3H3,(H,21,23)(H,22,24)