4-(2-cyanoethanoylamino)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzamide

Systemtic Name: 4-(2-cyanoethanoylamino)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-[(4S)-thiochroman-4-yl]benzamide Formula: C19H17N3O2S MolecularWeight: 351.42218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C19H17N3O2S/c20-11-9-18(23)21-14-7-5-13(6-8-14)19(24)22-16-10-12-25-17-4-2-1-3-15(16)17/h1-8,16H,9-10,12H2,(H,21,23)(H,22,24)/t16-/m0/s1