3-phenylpropyl 2-[1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-[(2,4-dichlorobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-[(2,4-dichlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2,4-dichlorobenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C23H23Cl2N3O4S MolecularWeight: 508.41742

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2N3O4S/c24-16-8-9-17(18(25)13-16)21(30)27-23(33)28-11-10-26-22(31)19(28)14-20(29)32-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,19H,4,7,10-12,14H2,(H,26,31)(H,27,30,33)