N-[1-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl]piperidin-4-yl]-3-methoxy-benzamide

Systemtic Name: N-[1-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoyl]piperidin-4-yl]-3-methoxy-benzamide Openeye Name: N-[1-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoyl]-4-piperidyl]-3-methoxy-benzamide CAS Name: N-[1-[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]-4-piperidinyl]-3-methoxybenzamide IUPAC Name: N-[1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]piperidin-4-yl]-3-methoxybenzamide Traditional Name: N-[1-[3-[(2-amino-2-keto-ethyl)thio]propanoyl]-4-piperidyl]-3-methoxy-benzamide Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=O)CCSCC(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=O)CCSCC(=O)N

InChI

InChI=1S/C18H25N3O4S/c1-25-15-4-2-3-13(11-15)18(24)20-14-5-8-21(9-6-14)17(23)7-10-26-12-16(19)22/h2-4,11,14H,5-10,12H2,1H3,(H2,19,22)(H,20,24)