propyl 4-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]benzoate CAS Name: 4-[[[3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[3-(1,3-benzothiazol-2-yl)pyrazine-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)pyrazinoyl]amino]benzoic acid propyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N4O3S/c1-2-13-29-22(28)14-7-9-15(10-8-14)25-20(27)18-19(24-12-11-23-18)21-26-16-5-3-4-6-17(16)30-21/h3-12H,2,13H2,1H3,(H,25,27)