2-[5-[2-[(4-carbamothioylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[5-[2-[(4-carbamothioylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[5-[2-[(4-carbamothioyl-2-thienyl)methylamino]-2-oxo-ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[5-[2-[(4-carbamothioyl-2-thiophenyl)methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[5-[2-[(4-carbamothioylthiophen-2-yl)methylamino]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[6-keto-5-[2-keto-2-[(4-thiocarbamoyl-2-thienyl)methylamino]ethyl]-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC(=CS4)C(=S)N)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3N(C2=O)CC(=O)NCC4=CC(=CS4)C(=S)N)CC(=O)O

InChI

InChI=1S/C24H21N3O4S2/c25-23(32)14-9-15(33-13-14)11-26-21(28)12-27-20-8-4-3-6-17(20)19(10-22(29)30)16-5-1-2-7-18(16)24(27)31/h1-9,13,19H,10-12H2,(H2,25,32)(H,26,28)(H,29,30)