3-[[[(Z)-(6-oxidanylidene-4-phenylmethoxy-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[[(Z)-(6-oxidanylidene-4-phenylmethoxy-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Openeye Name: 3-[[[(Z)-(4-benzyloxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid CAS Name: 3-[[[[(Z)-(6-oxo-4-phenylmethoxy-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[[(Z)-(6-oxo-4-phenylmethoxycyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamothioylamino]benzoic acid Traditional Name: 3-[[[(Z)-(4-benzoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiocarbamoylamino]benzoic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=O)C(=CNNC(=S)NC3=CC=CC(=C3)C(=O)O)C=C2

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=O)/C(=C\NNC(=S)NC3=CC=CC(=C3)C(=O)O)/C=C2

InChI

InChI=1S/C22H19N3O4S/c26-20-12-19(29-14-15-5-2-1-3-6-15)10-9-17(20)13-23-25-22(30)24-18-8-4-7-16(11-18)21(27)28/h1-13,23H,14H2,(H,27,28)(H2,24,25,30)/b17-13-