1-(1,3-benzothiazol-2-yl)-2-tert-butyl-3-(2-methylquinolin-4-yl)guanidine

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-2-tert-butyl-3-(2-methylquinolin-4-yl)guanidine Openeye Name: 1-(1,3-benzothiazol-2-yl)-2-tert-butyl-3-(2-methyl-4-quinolyl)guanidine CAS Name: 1-(1,3-benzothiazol-2-yl)-2-tert-butyl-3-(2-methyl-4-quinolinyl)guanidine IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2-tert-butyl-3-(2-methylquinolin-4-yl)guanidine Traditional Name: 1-(1,3-benzothiazol-2-yl)-2-tert-butyl-3-(2-methyl-4-quinolyl)guanidine Formula: C22H23N5S MolecularWeight: 389.51652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N5S/c1-14-13-18(15-9-5-6-10-16(15)23-14)24-20(27-22(2,3)4)26-21-25-17-11-7-8-12-19(17)28-21/h5-13H,1-4H3,(H2,23,24,25,26,27)