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

Systemtic Name: (5S)-1-(3-methylphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(m-tolyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(3-methylphenyl)-5-[2-(1-piperazinyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(3-methylphenyl)-5-(2-piperazin-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-(m-tolyl)-5-(2-piperazinoethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(C(=O)NC2=S)C=NCCN3CCNCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)[C@H](C(=O)NC2=S)C=NCCN3CCNCC3

InChI

InChI=1S/C18H23N5O2S/c1-13-3-2-4-14(11-13)23-17(25)15(16(24)21-18(23)26)12-20-7-10-22-8-5-19-6-9-22/h2-4,11-12,15,19H,5-10H2,1H3,(H,21,24,26)/t15-/m0/s1