N-[1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[1-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[1-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CS2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CS2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O4S2/c1-16(2)21(25-22(27)19-9-8-14-31-19)23(28)24-18-11-10-17(3)20(15-18)32(29,30)26-12-6-4-5-7-13-26/h8-11,14-16,21H,4-7,12-13H2,1-3H3,(H,24,28)(H,25,27)