N-[(2R)-1-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide

Systemtic Name: N-[(2R)-1-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide Openeye Name: 4-ethoxy-N-[(1R)-2-methyl-1-[[(4S)-thiochroman-4-yl]carbamoyl]propyl]benzamide CAS Name: N-[(2R)-1-[[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide IUPAC Name: N-[(2R)-1-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide Traditional Name: 4-ethoxy-N-[(1R)-2-methyl-1-[[(4S)-thiochroman-4-yl]carbamoyl]propyl]benzamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)N[C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C23H28N2O3S/c1-4-28-17-11-9-16(10-12-17)22(26)25-21(15(2)3)23(27)24-19-13-14-29-20-8-6-5-7-18(19)20/h5-12,15,19,21H,4,13-14H2,1-3H3,(H,24,27)(H,25,26)/t19-,21+/m0/s1