N-[(2S)-1-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(2S)-1-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[(1S)-1-[(6-chlorothiochroman-4-yl)carbamoyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide CAS Name: N-[(2S)-1-[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[(2S)-1-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[(1S)-1-[(6-chlorothiochroman-4-yl)carbamoyl]-2-methyl-propyl]-3,5-dimethoxy-benzamide Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCSC2=C1C=C(C=C2)Cl)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CCSC2=C1C=C(C=C2)Cl)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H27ClN2O4S/c1-13(2)21(26-22(27)14-9-16(29-3)12-17(10-14)30-4)23(28)25-19-7-8-31-20-6-5-15(24)11-18(19)20/h5-6,9-13,19,21H,7-8H2,1-4H3,(H,25,28)(H,26,27)/t19?,21-/m0/s1