N-[4-[3-[(3-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-[(3-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[3-(3-cyanobenzyl)-2-keto-hexahydropyrimidin-1-yl]phenyl]thiophene-2-carboxamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H20N4O2S/c24-15-17-4-1-5-18(14-17)16-26-11-3-12-27(23(26)29)20-9-7-19(8-10-20)25-22(28)21-6-2-13-30-21/h1-2,4-10,13-14H,3,11-12,16H2,(H,25,28)