N-(phenylmethyl)-2-(3-thiophen-3-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(phenylmethyl)-2-(3-thiophen-3-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[3-(3-thienyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-(3-thiophenyl)propyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-(3-thiophen-3-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[3-(3-thienyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=CSC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=CSC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O2S2/c26-20(11-10-17-12-13-28-15-17)25-23-21(18-8-4-5-9-19(18)29-23)22(27)24-14-16-6-2-1-3-7-16/h1-3,6-7,12-13,15H,4-5,8-11,14H2,(H,24,27)(H,25,26)