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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C28H34N4O3S2 MolecularWeight: 538.72456

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC)C

InChI

InChI=1S/C28H34N4O3S2/c1-5-31(6-2)26(33)24-19(3)23(27(34)35-4)25(37-24)29-28(36)32-16-14-30(15-17-32)18-21-12-9-11-20-10-7-8-13-22(20)21/h7-13H,5-6,14-18H2,1-4H3,(H,29,36)