N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-propyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-propyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-propyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-propylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-propylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-propyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C28H34N4O4S2 MolecularWeight: 554.72396

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCNC(=O)C(CC(C)C)NC(=O)C1=CC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCCN(CCCNC(=O)[C@H](CC(C)C)NC(=O)C1=CC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C28H34N4O4S2/c1-4-15-32(38(35,36)26-13-8-6-11-22(26)19-29)16-9-14-30-27(33)23(17-20(2)3)31-28(34)25-18-21-10-5-7-12-24(21)37-25/h5-8,10-13,18,20,23H,4,9,14-17H2,1-3H3,(H,30,33)(H,31,34)/t23-/m0/s1