(phenylmethyl) N-[7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Openeye Name: benzyl N-[7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamate CAS Name: N-[7-[oxo-(pyridin-4-ylamino)methyl]-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Traditional Name: N-[7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamic acid benzyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)OCC3=CC=CC=C3)C=CC(=C2)C(=O)NC4=CC=NC=C4

Isomeric SMILES

C1CSC2=C(C1NC(=O)OCC3=CC=CC=C3)C=CC(=C2)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C23H21N3O3S/c27-22(25-18-8-11-24-12-9-18)17-6-7-19-20(10-13-30-21(19)14-17)26-23(28)29-15-16-4-2-1-3-5-16/h1-9,11-12,14,20H,10,13,15H2,(H,26,28)(H,24,25,27)