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

Systemtic Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-[4-(dimethylamino)benzyl]-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H29N5OS/c1-27(2)21-9-6-19(7-10-21)18-28-12-4-13-29(15-14-28)23-11-8-20(17-25-23)26-24(30)22-5-3-16-31-22/h3,5-11,16-17H,4,12-15,18H2,1-2H3,(H,26,30)