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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(4-propylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S2/c1-3-10-24-11-13-25(14-12-24)22(28)23-20-19(21(26)27-4-2)16-18(29-20)15-17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3,(H,23,28)