N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxidanylidene-propan-2-yl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxidanylidene-propan-2-yl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-1-methyl-2-oxo-ethyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxopropan-2-yl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxopropan-2-yl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-keto-1-methyl-ethyl]phenyl]thiophene-2-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC=CS2)C(=O)NCC3CCCC(C3)CN

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC=CS2)C(=O)NCC3CCCC(C3)CN

InChI

InChI=1S/C22H29N3O2S/c1-15(21(26)24-14-17-5-2-4-16(12-17)13-23)18-7-9-19(10-8-18)25-22(27)20-6-3-11-28-20/h3,6-11,15-17H,2,4-5,12-14,23H2,1H3,(H,24,26)(H,25,27)