4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]carbamoyl]-N-propargyl-benzenesulfonamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C20H21N3O4S2/c1-3-10-21-29(26,27)16-7-5-14(6-8-16)19(24)22-23-20(25)18-12-15-11-13(2)4-9-17(15)28-18/h1,5-8,12-13,21H,4,9-11H2,2H3,(H,22,24)(H,23,25)