S-propan-2-yl 4-azanyl-2-phenylimino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carbothioate

Systemtic Name: S-propan-2-yl 4-azanyl-2-phenylimino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carbothioate Openeye Name: S-isopropyl 4-amino-2-phenylimino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-3-carbothioate CAS Name: 4-amino-2-phenylimino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carbothioic acid S-propan-2-yl ester IUPAC Name: S-propan-2-yl 4-amino-2-phenylimino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carbothioate Traditional Name: 4-amino-2-phenylimino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-3-carbothioic acid S-isopropyl ester Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(=O)N1C(=C2C3=C(CCCC3)SC2=NC1=NC4=CC=CC=C4)N

Isomeric SMILES

CC(C)SC(=O)N1C(=C2C3=C(CCCC3)SC2=NC1=NC4=CC=CC=C4)N

InChI

InChI=1S/C20H22N4OS2/c1-12(2)26-20(25)24-17(21)16-14-10-6-7-11-15(14)27-18(16)23-19(24)22-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11,21H2,1-2H3