N-(furan-2-ylmethyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-furylmethyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-furanylmethyl)-2-[(2-methyl-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(furan-2-ylmethyl)-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-furfuryl)-2-(isobutyrylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H22N2O3S/c1-11(2)16(21)20-18-15(13-7-3-4-8-14(13)24-18)17(22)19-10-12-6-5-9-23-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,22)(H,20,21)