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

Systemtic Name: N-[(2S)-1-[3-[(3-cyanothiophen-2-yl)sulfonyl-methyl-amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(3-cyano-2-thienyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(3-cyano-2-thiophenyl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(3-cyanothiophen-2-yl)sulfonyl-methylamino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(3-cyano-2-thienyl)sulfonyl-methyl-amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C24H28N4O4S3 MolecularWeight: 532.69852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(C)S(=O)(=O)C1=C(C=CS1)C#N)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCN(C)S(=O)(=O)C1=C(C=CS1)C#N)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C24H28N4O4S3/c1-16(2)13-19(27-23(30)21-14-17-7-4-5-8-20(17)34-21)22(29)26-10-6-11-28(3)35(31,32)24-18(15-25)9-12-33-24/h4-5,7-9,12,14,16,19H,6,10-11,13H2,1-3H3,(H,26,29)(H,27,30)/t19-/m0/s1