4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1-(2-furylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-(2-furanylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1-(furan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1-(2-furfuryl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CO4

InChI

InChI=1S/C21H27N3O3S/c25-19(23-11-5-1-2-6-12-23)15-28-20-17-9-3-4-10-18(17)24(21(26)22-20)14-16-8-7-13-27-16/h7-8,13H,1-6,9-12,14-15H2