5-(azepan-1-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(azepan-1-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(azepan-1-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1-azepanylmethyl)-1-[(2,4-dichlorophenyl)methyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(azepan-1-ylmethyl)-1-[(2,4-dichlorophenyl)methyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(azepan-1-ylmethyl)-1-(2,4-dichlorobenzyl)-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H25Cl2N3O2S MolecularWeight: 490.4452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)CC2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H25Cl2N3O2S/c25-18-11-10-17(21(26)14-18)15-28-22(30)20(16-27-12-6-1-2-7-13-27)23(31)29(24(28)32)19-8-4-3-5-9-19/h3-5,8-11,14,20H,1-2,6-7,12-13,15-16H2