2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopropyl-quinazolin-4-one

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopropyl-quinazolin-4-one Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-3-cyclopropyl-quinazolin-4-one CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-3-cyclopropyl-4-quinazolinone IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-3-cyclopropylquinazolin-4-one Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-3-cyclopropyl-quinazolin-4-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C20H25N3O2S/c24-18(22-12-6-2-1-3-7-13-22)14-26-20-21-17-9-5-4-8-16(17)19(25)23(20)15-10-11-15/h4-5,8-9,15H,1-3,6-7,10-14H2