3-(5-azanylpentyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1-(thiophen-3-ylmethyl)-1,3-diazinan-4-one

Systemtic Name: 3-(5-azanylpentyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1-(thiophen-3-ylmethyl)-1,3-diazinan-4-one Openeye Name: 3-(5-aminopentyl)-6-(5-phenyl-1H-imidazol-2-yl)-1-(3-thienylmethyl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3-(5-aminopentyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1-(3-thiophenylmethyl)-1,3-diazinan-4-one IUPAC Name: 3-(5-aminopentyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1-(thiophen-3-ylmethyl)-1,3-diazinan-4-one Traditional Name: 3-(5-aminopentyl)-6-(5-phenyl-1H-imidazol-2-yl)-1-(3-thenyl)-2-thioxo-hexahydropyrimidin-4-one Formula: C23H27N5OS2 MolecularWeight: 453.62338

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=S)N(C1=O)CCCCCN)CC2=CSC=C2)C3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1C(N(C(=S)N(C1=O)CCCCCN)CC2=CSC=C2)C3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS2/c24-10-5-2-6-11-27-21(29)13-20(28(23(27)30)15-17-9-12-31-16-17)22-25-14-19(26-22)18-7-3-1-4-8-18/h1,3-4,7-9,12,14,16,20H,2,5-6,10-11,13,15,24H2,(H,25,26)