7-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C25H28N4O2S/c1-3-11-29-24(31)21-10-9-20(16-22(21)26-25(29)32)23(30)28-13-4-12-27(14-15-28)17-19-7-5-18(2)6-8-19/h3,5-10,16H,1,4,11-15,17H2,2H3,(H,26,32)