N-[2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[(6-chlorothiochroman-4-yl)amino]-2-oxo-ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[(6-chlorothiochroman-4-yl)amino]-2-keto-ethyl]-3,5-dimethyl-benzamide Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN2O2S/c1-12-7-13(2)9-14(8-12)20(25)22-11-19(24)23-17-5-6-26-18-4-3-15(21)10-16(17)18/h3-4,7-10,17H,5-6,11H2,1-2H3,(H,22,25)(H,23,24)