N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-3-pyrrol-1-yl-thiophene-2-carboxamide Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C19H22N4OS2/c24-18(17-16(7-12-25-17)23-10-5-6-11-23)21-19-20-15(14-26-19)13-22-8-3-1-2-4-9-22/h5-7,10-12,14H,1-4,8-9,13H2,(H,20,21,24)