3-phenylpropyl 2-[3-oxidanylidene-1-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[3-oxidanylidene-1-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(2-thenoylthiocarbamoyl)piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N3O4S2/c25-18(28-12-4-8-15-6-2-1-3-7-15)14-16-19(26)22-10-11-24(16)21(29)23-20(27)17-9-5-13-30-17/h1-3,5-7,9,13,16H,4,8,10-12,14H2,(H,22,26)(H,23,27,29)