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

Systemtic Name: tert-butyl N-[7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl N-[7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Traditional Name: N-[7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamic acid tert-butyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCSC2=C1C=CC(=C2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCSC2=C1C=CC(=C2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C20H23N3O3S/c1-20(2,3)26-19(25)23-16-8-11-27-17-12-13(4-5-15(16)17)18(24)22-14-6-9-21-10-7-14/h4-7,9-10,12,16H,8,11H2,1-3H3,(H,23,25)(H,21,22,24)