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

Systemtic Name: N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxidanylidene-propan-2-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-1-methyl-2-oxo-ethyl]phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxopropan-2-yl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxopropan-2-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-keto-1-methyl-ethyl]phenyl]benzothiophene-2-carboxamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)C(=O)NCC4CCCC(C4)CN

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)C(=O)NCC4CCCC(C4)CN

InChI

InChI=1S/C26H31N3O2S/c1-17(25(30)28-16-19-6-4-5-18(13-19)15-27)20-9-11-22(12-10-20)29-26(31)24-14-21-7-2-3-8-23(21)32-24/h2-3,7-12,14,17-19H,4-6,13,15-16,27H2,1H3,(H,28,30)(H,29,31)