8-(3-methylpiperidin-1-yl)carbonyl-2-phenylazanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

Systemtic Name: 8-(3-methylpiperidin-1-yl)carbonyl-2-phenylazanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one Openeye Name: 2-anilino-8-(3-methylpiperidine-1-carbonyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one CAS Name: 2-anilino-8-[(3-methyl-1-piperidinyl)-oxomethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one IUPAC Name: 2-anilino-8-(3-methylpiperidine-1-carbonyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one Traditional Name: 2-anilino-8-(3-methylpiperidine-1-carbonyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N4C(=N3)SC(=N4)NC5=CC=CC=C5

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N4C(=N3)SC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2S/c1-14-6-5-11-26(13-14)19(28)15-9-10-17-18(12-15)24-22-27(20(17)29)25-21(30-22)23-16-7-3-2-4-8-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,23,25)