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

Systemtic Name: N-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethyl-N-[2-(2-methylpropylamino)-1-phenyl-butan-2-yl]butanamide Openeye Name: N-(1,3-benzothiazol-6-ylsulfonyl)-N-[1-benzyl-1-(isobutylamino)propyl]-3,3-dimethyl-butanamide CAS Name: N-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethyl-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]butanamide IUPAC Name: N-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethyl-N-[2-(2-methylpropylamino)-1-phenylbutan-2-yl]butanamide Traditional Name: N-(1,3-benzothiazol-6-ylsulfonyl)-N-[1-benzyl-1-(isobutylamino)propyl]-3,3-dimethyl-butyramide Formula: C27H37N3O3S2 MolecularWeight: 515.73098

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H37N3O3S2/c1-7-27(29-18-20(2)3,16-21-11-9-8-10-12-21)30(25(31)17-26(4,5)6)35(32,33)22-13-14-23-24(15-22)34-19-28-23/h8-15,19-20,29H,7,16-18H2,1-6H3