N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-phenylethanoylamino)propanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-phenylethanoylamino)propanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-[(2-phenylacetyl)amino]propanamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-[(2-phenylacetyl)amino]propionamide Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCNC(=O)CC3=CC=CC=C3)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCNC(=O)CC3=CC=CC=C3)C=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O2S/c21-15-6-7-18-16(13-15)17(9-11-26-18)23-19(24)8-10-22-20(25)12-14-4-2-1-3-5-14/h1-7,13,17H,8-12H2,(H,22,25)(H,23,24)