N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: N-[3-[anilino(oxo)methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-14-9-10-17-18(12-14)28-22(25-20(26)15-6-5-11-23-13-15)19(17)21(27)24-16-7-3-2-4-8-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,24,27)(H,25,26)