N-(5-chloranyl-2-methoxy-phenyl)-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(2-thienylmethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(thiophen-2-ylmethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(2-thenylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21ClN2O2S2 MolecularWeight: 432.98664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC3=C2CCCC3)NCC4=CC=CS4

InChI

InChI=1S/C21H21ClN2O2S2/c1-26-17-9-8-13(22)11-16(17)24-20(25)19-15-6-2-3-7-18(15)28-21(19)23-12-14-5-4-10-27-14/h4-5,8-11,23H,2-3,6-7,12H2,1H3,(H,24,25)