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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H29N3O2S2 MolecularWeight: 467.64666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C25H29N3O2S2/c1-4-20-17(2)32-23(22(20)24(29)30-3)26-25(31)28-14-12-27(13-15-28)16-19-10-7-9-18-8-5-6-11-21(18)19/h5-11H,4,12-16H2,1-3H3,(H,26,31)