methyl 3-[[4-(4-azanylthieno[3,2-c]pyridin-3-yl)phenyl]carbamoylamino]benzoate

Systemtic Name: methyl 3-[[4-(4-azanylthieno[3,2-c]pyridin-3-yl)phenyl]carbamoylamino]benzoate Openeye Name: methyl 3-[[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]carbamoylamino]benzoate CAS Name: 3-[[[4-(4-amino-3-thieno[3,2-c]pyridinyl)anilino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]carbamoylamino]benzoate Traditional Name: 3-[[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]carbamoylamino]benzoic acid methyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4)N

InChI

InChI=1S/C22H18N4O3S/c1-29-21(27)14-3-2-4-16(11-14)26-22(28)25-15-7-5-13(6-8-15)17-12-30-18-9-10-24-20(23)19(17)18/h2-12H,1H3,(H2,23,24)(H2,25,26,28)