7-chloranyl-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[(3S)-2-oxo-3-azepanyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[(3S)-2-oxoazepan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[(3S)-2-ketoazepan-3-yl]thio]quinazolin-4-one Formula: C17H18ClN3O2S MolecularWeight: 363.86172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC3CCCCNC3=O

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1S[C@H]3CCCCNC3=O

InChI

InChI=1S/C17H18ClN3O2S/c1-2-9-21-16(23)12-7-6-11(18)10-13(12)20-17(21)24-14-5-3-4-8-19-15(14)22/h2,6-7,10,14H,1,3-5,8-9H2,(H,19,22)/t14-/m0/s1