N-[(4-chlorophenyl)methyl]-1-(3-methylsulfanylpropyl)-6-(morpholin-4-ylmethyl)-4-oxidanylidene-cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(3-methylsulfanylpropyl)-6-(morpholin-4-ylmethyl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(3-methylsulfanylpropyl)-6-(morpholinomethyl)-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-[3-(methylthio)propyl]-6-(4-morpholinylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(3-methylsulfanylpropyl)-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-1-[3-(methylthio)propyl]-6-(morpholinomethyl)cinnoline-3-carboxamide Formula: C25H29ClN4O3S MolecularWeight: 501.04076

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1C2=C(C=C(C=C2)CN3CCOCC3)C(=O)C(=N1)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CSCCCN1C2=C(C=C(C=C2)CN3CCOCC3)C(=O)C(=N1)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4O3S/c1-34-14-2-9-30-22-8-5-19(17-29-10-12-33-13-11-29)15-21(22)24(31)23(28-30)25(32)27-16-18-3-6-20(26)7-4-18/h3-8,15H,2,9-14,16-17H2,1H3,(H,27,32)