2-[(4-heptoxyphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-heptoxybenzoyl)amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-heptoxyphenyl)-oxomethyl]amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-heptoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-heptoxybenzoyl)amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C29H35N3O3S/c1-2-3-4-5-8-18-35-23-15-13-22(14-16-23)27(33)32-29-26(24-11-6-7-12-25(24)36-29)28(34)31-20-21-10-9-17-30-19-21/h9-10,13-17,19H,2-8,11-12,18,20H2,1H3,(H,31,34)(H,32,33)