2-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-N-(phenylmethyl)-N-propyl-pent-4-ynamide

Systemtic Name: 2-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-N-(phenylmethyl)-N-propyl-pent-4-ynamide Openeye Name: 2-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-N-benzyl-N-propyl-pent-4-ynamide CAS Name: 2-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-N-(phenylmethyl)-N-propyl-4-pentynamide IUPAC Name: 2-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-N-benzyl-N-propylpent-4-ynamide Traditional Name: 2-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-N-benzyl-N-propyl-pent-4-ynamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=O)C(CC#C)N(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=O)C(CC#C)N(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C26H31N3O3S2/c1-5-10-24(26(30)28(15-6-2)18-21-11-8-7-9-12-21)29(17-20(3)4)34(31,32)22-13-14-23-25(16-22)33-19-27-23/h1,7-9,11-14,16,19-20,24H,6,10,15,17-18H2,2-4H3