(2S)-N-(4-methyl-3-nitro-phenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide Openeye Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)propanamide CAS Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)propanamide IUPAC Name: (2S)-N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propanamide Traditional Name: (2S)-N-(4-methyl-3-nitro-phenyl)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylthio)propionamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2C4=C(S3)CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=NC=NC3=C2C4=C(S3)CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S2/c1-11-7-8-13(9-15(11)24(26)27)23-18(25)12(2)28-19-17-14-5-3-4-6-16(14)29-20(17)22-10-21-19/h7-10,12H,3-6H2,1-2H3,(H,23,25)/t12-/m0/s1