methyl 3-chloranyl-6-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H24ClN3O2S2 MolecularWeight: 510.07066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C26H24ClN3O2S2/c1-32-25(31)24-23(27)21-10-9-19(15-22(21)34-24)28-26(33)30-13-11-29(12-14-30)16-18-7-4-6-17-5-2-3-8-20(17)18/h2-10,15H,11-14,16H2,1H3,(H,28,33)