(5S)-1-(3-chlorophenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-1-(3-chlorophenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(3-chlorophenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(3-chlorophenyl)-5-[2-(1-piperazinyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(3-chlorophenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-(3-chlorophenyl)-5-(2-piperazinoethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H20ClN5O2S MolecularWeight: 393.891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN=CC2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1)CCN=C[C@H]2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5O2S/c18-12-2-1-3-13(10-12)23-16(25)14(15(24)21-17(23)26)11-20-6-9-22-7-4-19-5-8-22/h1-3,10-11,14,19H,4-9H2,(H,21,24,26)/t14-/m0/s1