(2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-2-thienyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-2-thiophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-(1,3-benzodioxol-5-ylmethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(5-methyl-2-thienyl)-3-piperonyl-1,2-dihydroquinazolin-4-one Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(S1)[C@H]2NC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18N2O3S/c1-13-6-9-19(27-13)20-22-16-5-3-2-4-15(16)21(24)23(20)11-14-7-8-17-18(10-14)26-12-25-17/h2-10,20,22H,11-12H2,1H3/t20-/m0/s1