N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CN(C)C(=O)CCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H27N3O5S/c1-25(2)19(26)11-8-14-6-9-16(10-7-14)23-22(31)24-21(27)15-12-17(28-3)20(30-5)18(13-15)29-4/h6-7,9-10,12-13H,8,11H2,1-5H3,(H2,23,24,27,31)