4-[2-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]thio]quinazolin-3-yl]benzonitrile Formula: C27H22N4O2S2 MolecularWeight: 498.61918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H22N4O2S2/c1-18-14-15-30(23-8-4-5-9-24(23)35-18)25(32)17-34-27-29-22-7-3-2-6-21(22)26(33)31(27)20-12-10-19(16-28)11-13-20/h2-13,18H,14-15,17H2,1H3/t18-/m0/s1