N-[4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[[3-(isobutyrylamino)benzyl]amino]-4-keto-butyl]thiophene-2-carboxamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CCCNC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CCCNC(=O)C2=CC=CS2

InChI

InChI=1S/C20H25N3O3S/c1-14(2)19(25)23-16-7-3-6-15(12-16)13-22-18(24)9-4-10-21-20(26)17-8-5-11-27-17/h3,5-8,11-12,14H,4,9-10,13H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)