methyl 4-methylsulfanyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=S)N1CCN(CC1)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C(CCSC)NC(=S)N1CCN(CC1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H29N3O2S2/c1-27-21(26)20(10-15-29-2)23-22(28)25-13-11-24(12-14-25)16-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,20H,10-16H2,1-2H3,(H,23,28)