N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-chloranyl-pyridine-3-carboxamide Openeye Name: N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-6-chloro-pyridine-3-carboxamide CAS Name: N-[6-tert-butyl-3-[(4-ethylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-chloro-3-pyridinecarboxamide IUPAC Name: N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-chloropyridine-3-carboxamide Traditional Name: N-[6-tert-butyl-3-[(4-ethylphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-6-chloro-nicotinamide Formula: C27H30ClN3O2S MolecularWeight: 496.064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C27H30ClN3O2S/c1-5-16-6-10-19(11-7-16)30-25(33)23-20-12-9-18(27(2,3)4)14-21(20)34-26(23)31-24(32)17-8-13-22(28)29-15-17/h6-8,10-11,13,15,18H,5,9,12,14H2,1-4H3,(H,30,33)(H,31,32)