2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]benzamide

Systemtic Name: 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]benzamide Openeye Name: 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]benzamide IUPAC Name: 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-N-[4-(piperidine-1-carbonyl)benzyl]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C27H29N3O4S/c31-25(28-18-22-7-6-16-34-22)19-35-24-9-3-2-8-23(24)26(32)29-17-20-10-12-21(13-11-20)27(33)30-14-4-1-5-15-30/h2-3,6-13,16H,1,4-5,14-15,17-19H2,(H,28,31)(H,29,32)