N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-(2-cyanoethanoylamino)benzamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-(2-cyanoethanoylamino)benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-4-[(2-cyanoacetyl)amino]benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-[(2-cyano-1-oxoethyl)amino]benzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-[(2-cyanoacetyl)amino]benzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-4-[(2-cyanoacetyl)amino]benzamide Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C=C(C=C2)Cl

InChI

InChI=1S/C19H16ClN3O2S/c20-13-3-6-17-15(11-13)16(8-10-26-17)23-19(25)12-1-4-14(5-2-12)22-18(24)7-9-21/h1-6,11,16H,7-8,10H2,(H,22,24)(H,23,25)