2-azanyl-N-[2-(2-methylpropylamino)-1-phenyl-butan-2-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-azanyl-N-[2-(2-methylpropylamino)-1-phenyl-butan-2-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-amino-N-[1-benzyl-1-(isobutylamino)propyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-amino-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-amino-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-amino-N-[1-benzyl-1-(isobutylamino)propyl]-1,3-benzothiazole-6-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(NCC(C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CCC(CC1=CC=CC=C1)(NCC(C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C22H28N4OS/c1-4-22(24-14-15(2)3,13-16-8-6-5-7-9-16)26-20(27)17-10-11-18-19(12-17)28-21(23)25-18/h5-12,15,24H,4,13-14H2,1-3H3,(H2,23,25)(H,26,27)