N-[3-methyl-1-[[3-(2-methylpropanoylamino)phenyl]methylamino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-[[3-(2-methylpropanoylamino)phenyl]methylamino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-[[3-(2-methylpropanoylamino)phenyl]methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-[[3-(isobutyrylamino)benzyl]carbamoyl]-2-methyl-propyl]thiophene-2-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC(=CC=C1)NC(=O)C(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC(=CC=C1)NC(=O)C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C21H27N3O3S/c1-13(2)18(24-20(26)17-9-6-10-28-17)21(27)22-12-15-7-5-8-16(11-15)23-19(25)14(3)4/h5-11,13-14,18H,12H2,1-4H3,(H,22,27)(H,23,25)(H,24,26)