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

Systemtic Name: methyl 5-phenyl-2-[(4-propylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(4-propyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(4-propylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-3-9-22-10-12-23(13-11-22)20(26)21-18-16(19(24)25-2)14-17(27-18)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,21,26)