N-[2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxidanylidene-ethyl]-3,4-diethoxy-benzamide

Systemtic Name: N-[2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxidanylidene-ethyl]-3,4-diethoxy-benzamide Openeye Name: N-[2-[(6-chlorothiochroman-4-yl)amino]-2-oxo-ethyl]-3,4-diethoxy-benzamide CAS Name: N-[2-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-2-oxoethyl]-3,4-diethoxybenzamide IUPAC Name: N-[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxoethyl]-3,4-diethoxybenzamide Traditional Name: N-[2-[(6-chlorothiochroman-4-yl)amino]-2-keto-ethyl]-3,4-diethoxy-benzamide Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)OCC

InChI

InChI=1S/C22H25ClN2O4S/c1-3-28-18-7-5-14(11-19(18)29-4-2)22(27)24-13-21(26)25-17-9-10-30-20-8-6-15(23)12-16(17)20/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,24,27)(H,25,26)