4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[(6-benzimidazolo[1,2-c]quinazolinylthio)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(benzimidazolo[1,2-c]quinazolin-6-ylthio)methyl]-6-isopropyl-7-methyl-coumarin Formula: C28H23N3O2S MolecularWeight: 465.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C5=NC6=CC=CC=C6N53)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4C5=NC6=CC=CC=C6N53)C(C)C

InChI

InChI=1S/C28H23N3O2S/c1-16(2)20-14-21-18(13-26(32)33-25(21)12-17(20)3)15-34-28-30-22-9-5-4-8-19(22)27-29-23-10-6-7-11-24(23)31(27)28/h4-14,16H,15H2,1-3H3