2-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-acetamido-3-thiophen-2-yl-propanoyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-acetamido-3-(2-thienyl)propanoyl]amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCCCOC)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCCCOC)C3=CC=CS3

InChI

InChI=1S/C22H29N3O4S2/c1-14(26)24-16(18-9-5-12-30-18)13-19(27)25-22-20(21(28)23-10-6-11-29-2)15-7-3-4-8-17(15)31-22/h5,9,12,16H,3-4,6-8,10-11,13H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)