4-aminocarbonyl-3-[N'-(3-methoxypropyl)carbamimidoyl]-12H-benzo[a]thioxanthene-12-carboxylic acid

Systemtic Name: 4-aminocarbonyl-3-[N'-(3-methoxypropyl)carbamimidoyl]-12H-benzo[a]thioxanthene-12-carboxylic acid Openeye Name: 4-carbamoyl-3-[N'-(3-methoxypropyl)carbamimidoyl]-12H-benzo[a]thioxanthene-12-carboxylic acid CAS Name: 3-[amino(3-methoxypropylimino)methyl]-4-carbamoyl-12H-benzo[a]thioxanthene-12-carboxylic acid IUPAC Name: 4-carbamoyl-3-[N'-(3-methoxypropyl)carbamimidoyl]-12H-benzo[a]thioxanthene-12-carboxylic acid Traditional Name: 4-carbamoyl-3-[N'-(3-methoxypropyl)amidino]-12H-benzo[a]thioxanthene-12-carboxylic acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN=C(C1=C(C2=C(C=C1)C3=C(C=C2)SC4=CC=CC=C4C3C(=O)O)C(=O)N)N

Isomeric SMILES

COCCCN=C(C1=C(C2=C(C=C1)C3=C(C=C2)SC4=CC=CC=C4C3C(=O)O)C(=O)N)N

InChI

InChI=1S/C24H23N3O4S/c1-31-12-4-11-27-22(25)16-8-7-14-13(19(16)23(26)28)9-10-18-20(14)21(24(29)30)15-5-2-3-6-17(15)32-18/h2-3,5-10,21H,4,11-12H2,1H3,(H2,25,27)(H2,26,28)(H,29,30)