N-(1,3-benzodioxol-5-yl)-2-[(4-oxidanylidene-3-prop-2-enyl-4aH-benzo[g]quinazolin-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxidanylidene-3-prop-2-enyl-4aH-benzo[g]quinazolin-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(3-allyl-4-oxo-4aH-benzo[g]quinazolin-3-ium-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-prop-2-enyl-4aH-benzo[g]quinazolin-3-ium-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-oxo-3-prop-2-enyl-4aH-benzo[g]quinazolin-3-ium-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-allyl-4-keto-4aH-benzo[g]quinazolin-3-ium-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C24H20N3O4S+ MolecularWeight: 446.4983

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(N=C2C=C3C=CC=CC3=CC2C1=O)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CC[N+]1=C(N=C2C=C3C=CC=CC3=CC2C1=O)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H19N3O4S/c1-2-9-27-23(29)18-10-15-5-3-4-6-16(15)11-19(18)26-24(27)32-13-22(28)25-17-7-8-20-21(12-17)31-14-30-20/h2-8,10-12,18H,1,9,13-14H2/p+1