1-[6-[(4-tert-butylphenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[6-[(4-tert-butylphenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[6-[(4-tert-butylphenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[6-[(4-tert-butylphenyl)methylthio]-3-benzimidazolo[1,2-c]quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-[(4-tert-butylphenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[6-[(4-tert-butylbenzyl)thio]benzimidazolo[1,2-c]quinazoline-3-carbonyl]isonipecotamide Formula: C32H33N5O2S MolecularWeight: 551.70172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33N5O2S/c1-32(2,3)23-11-8-20(9-12-23)19-40-31-35-26-18-22(30(39)36-16-14-21(15-17-36)28(33)38)10-13-24(26)29-34-25-6-4-5-7-27(25)37(29)31/h4-13,18,21H,14-17,19H2,1-3H3,(H2,33,38)