1-[6-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[6-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[6-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[6-[(5-acetyl-2-methoxyphenyl)methylthio]-3-benzimidazolo[1,2-c]quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[6-[(5-acetyl-2-methoxy-benzyl)thio]benzimidazolo[1,2-c]quinazoline-3-carbonyl]isonipecotamide Formula: C31H29N5O4S MolecularWeight: 567.65806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C5=NC6=CC=CC=C6N52

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C5=NC6=CC=CC=C6N52

InChI

InChI=1S/C31H29N5O4S/c1-18(37)20-8-10-27(40-2)22(15-20)17-41-31-34-25-16-21(30(39)35-13-11-19(12-14-35)28(32)38)7-9-23(25)29-33-24-5-3-4-6-26(24)36(29)31/h3-10,15-16,19H,11-14,17H2,1-2H3,(H2,32,38)