N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: 3-(benzylcarbamoylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: 3-(benzylcarbamoylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(benzylcarbamoylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCNC(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCNC(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N4O4S/c1-27-15-10-14-17(11-16(15)28-2)29-20(23-14)24-18(25)8-9-21-19(26)22-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,21,22,26)(H,23,24,25)