methyl 5-(phenylmethyl)-2-[(4-propylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[(4-propylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(4-propyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCN1CCN(CC1)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H27N3O2S2/c1-3-9-23-10-12-24(13-11-23)21(27)22-19-18(20(25)26-2)15-17(28-19)14-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,22,27)