N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(2-thenyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c25-20(18-5-2-13-27-18)22-16-6-7-19(21-14-16)24-9-3-8-23(10-11-24)15-17-4-1-12-26-17/h1-2,4-7,12-14H,3,8-11,15H2,(H,22,25)