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

Systemtic Name: N-[(2S)-4-methyl-1-[3-[methyl(thiophen-2-ylsulfonyl)amino]propylamino]-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[3-[methyl(2-thienylsulfonyl)amino]propylcarbamoyl]butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-[3-[methyl(thiophen-2-ylsulfonyl)amino]propylamino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-4-methyl-1-[3-[methyl(thiophen-2-ylsulfonyl)amino]propylamino]-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-3-methyl-1-[3-[methyl(2-thienylsulfonyl)amino]propylcarbamoyl]butyl]benzothiophene-2-carboxamide Formula: C23H29N3O4S3 MolecularWeight: 507.68906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S3/c1-16(2)14-18(25-23(28)20-15-17-8-4-5-9-19(17)32-20)22(27)24-11-7-12-26(3)33(29,30)21-10-6-13-31-21/h4-6,8-10,13,15-16,18H,7,11-12,14H2,1-3H3,(H,24,27)(H,25,28)/t18-/m0/s1