N-(1,3-benzothiazol-6-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenyl-butan-2-yl]butanamide

Systemtic Name: N-(1,3-benzothiazol-6-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenyl-butan-2-yl]butanamide Openeye Name: N-(1,3-benzothiazol-6-ylsulfonyl)-N-[1-benzyl-1-(isobutylamino)propyl]-3-methyl-butanamide CAS Name: N-(1,3-benzothiazol-6-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]butanamide IUPAC Name: N-(1,3-benzothiazol-6-ylsulfonyl)-3-methyl-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]butanamide Traditional Name: N-(1,3-benzothiazol-6-ylsulfonyl)-N-[1-benzyl-1-(isobutylamino)propyl]-3-methyl-butyramide Formula: C26H35N3O3S2 MolecularWeight: 501.7044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(NCC(C)C)N(C(=O)CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCC(CC1=CC=CC=C1)(NCC(C)C)N(C(=O)CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C26H35N3O3S2/c1-6-26(28-17-20(4)5,16-21-10-8-7-9-11-21)29(25(30)14-19(2)3)34(31,32)22-12-13-23-24(15-22)33-18-27-23/h7-13,15,18-20,28H,6,14,16-17H2,1-5H3