2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)SC3=NC=NC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)SC3=NC=NC(=C3)C

InChI

InChI=1S/C18H22N4O2S2/c1-3-12(25-14-8-10(2)20-9-21-14)17(24)22-18-15(16(19)23)11-6-4-5-7-13(11)26-18/h8-9,12H,3-7H2,1-2H3,(H2,19,23)(H,22,24)