methyl 5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C23H25N3O2S2/c1-16-14-20(22(27)28-2)21(30-16)24-23(29)26-12-10-25(11-13-26)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,14H,10-13,15H2,1-2H3,(H,24,29)