N-[4-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methylamino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methylamino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[[4-[isopropyl(methyl)carbamoyl]phenyl]methylamino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[[4-[[methyl(propan-2-yl)amino]-oxomethyl]phenyl]methylamino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methylamino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[[4-[isopropyl(methyl)carbamoyl]benzyl]amino]-4-keto-butyl]thiophene-2-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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