3-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzo[g]quinazolin-4-one

Systemtic Name: 3-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-benzo[g]quinazolin-4-one Openeye Name: 3-methyl-2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-benzo[g]quinazolin-4-one CAS Name: 3-methyl-2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-benzo[g]quinazolinone IUPAC Name: 3-methyl-2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzo[g]quinazolin-4-one Traditional Name: 2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]-3-methyl-benzo[g]quinazolin-4-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C21H23N3O2S/c1-14-6-5-9-24(12-14)19(25)13-27-21-22-18-11-16-8-4-3-7-15(16)10-17(18)20(26)23(21)2/h3-4,7-8,10-11,14H,5-6,9,12-13H2,1-2H3/t14-/m0/s1