4-butoxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methoxy-benzamide

Systemtic Name: 4-butoxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methoxy-benzamide Openeye Name: 4-butoxy-3-methoxy-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: 4-butoxy-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-methoxybenzamide IUPAC Name: 4-butoxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methoxybenzamide Traditional Name: 4-butoxy-3-methoxy-N-[(4S)-thiochroman-4-yl]benzamide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N[C@H]2CCSC3=CC=CC=C23)OC

InChI

InChI=1S/C21H25NO3S/c1-3-4-12-25-18-10-9-15(14-19(18)24-2)21(23)22-17-11-13-26-20-8-6-5-7-16(17)20/h5-10,14,17H,3-4,11-13H2,1-2H3,(H,22,23)/t17-/m0/s1