N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-3-methyl-benzamide Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C22H28N4O2S/c1-4-26(5-2)14-13-23-20(27)17-9-11-19(12-10-17)24-22(29)25-21(28)18-8-6-7-16(3)15-18/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,27)(H2,24,25,28,29)