N-cyclopropyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-N-cyclopropyl-pyridine-3-carboxamide CAS Name: N-cyclopropyl-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-N-cyclopropylpyridine-3-carboxamide Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-N-cyclopropyl-nicotinamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(N=CC=C2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CC1NC(=O)C2=C(N=CC=C2)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c22-16(20-11-13-5-2-1-3-6-13)12-24-18-15(7-4-10-19-18)17(23)21-14-8-9-14/h1-7,10,14H,8-9,11-12H2,(H,20,22)(H,21,23)