4-[5-(1H-indol-3-ylmethylidene)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 4-[5-(1H-indol-3-ylmethylidene)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 4-[5-(1H-indol-3-ylmethylene)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 4-[5-(1H-indol-3-ylmethylidene)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 4-[5-(1H-indol-3-ylmethylidene)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 4-[5-(1H-indol-3-ylmethylene)-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C20H13N3O4S MolecularWeight: 391.39992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H13N3O4S/c24-17-15(9-12-10-21-16-4-2-1-3-14(12)16)18(25)23(20(28)22-17)13-7-5-11(6-8-13)19(26)27/h1-10,21H,(H,26,27)(H,22,24,28)