3-[3-(4-methylpiperidin-1-yl)propyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[3-(4-methylpiperidin-1-yl)propyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-[3-(4-methyl-1-piperidyl)propyl]-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[3-(4-methyl-1-piperidinyl)propyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-[3-(4-methylpiperidin-1-yl)propyl]-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-[3-(4-methylpiperidino)propyl]-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

Isomeric SMILES

CC1CCN(CC1)CCCN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

InChI

InChI=1S/C19H22N4O3S2/c1-12-5-9-21(10-6-12)7-2-8-22-18(24)17-16(20-19(22)27)14-11-13(23(25)26)3-4-15(14)28-17/h3-4,11-12H,2,5-10H2,1H3,(H,20,27)