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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(4-propylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-propyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-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)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-4-10-23-11-13-24(14-12-23)21(27)22-19-18(20(25)26-3)17(15(2)28-19)16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3,(H,22,27)