N-[(1S)-1-[4-ethyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-1,2,4-triazol-3-yl]-3-methylsulfanyl-propyl]-4-methoxy-benzamide

Systemtic Name: N-[(1S)-1-[4-ethyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-1,2,4-triazol-3-yl]-3-methylsulfanyl-propyl]-4-methoxy-benzamide Openeye Name: N-[(1S)-1-[5-(3-anilino-3-oxo-propyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-3-methylsulfanyl-propyl]-4-methoxy-benzamide CAS Name: N-[(1S)-1-[5-[(3-anilino-3-oxopropyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-3-(methylthio)propyl]-4-methoxybenzamide IUPAC Name: N-[(1S)-1-[5-(3-anilino-3-oxopropyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-3-methylsulfanylpropyl]-4-methoxybenzamide Traditional Name: N-[(1S)-1-[5-[(3-anilino-3-keto-propyl)thio]-4-ethyl-1,2,4-triazol-3-yl]-3-(methylthio)propyl]-4-methoxy-benzamide Formula: C25H31N5O3S2 MolecularWeight: 513.67534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C(CCSC)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)[C@H](CCSC)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H31N5O3S2/c1-4-30-23(21(14-16-34-3)27-24(32)18-10-12-20(33-2)13-11-18)28-29-25(30)35-17-15-22(31)26-19-8-6-5-7-9-19/h5-13,21H,4,14-17H2,1-3H3,(H,26,31)(H,27,32)/t21-/m0/s1