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

Systemtic Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-oxidanylidene-ethyl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-oxo-ethyl]phenyl]benzothiophene-2-carboxamide CAS Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-oxoethyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-oxoethyl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-keto-ethyl]phenyl]benzothiophene-2-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)CC2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4S3)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)CC2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4S3)CN

InChI

InChI=1S/C25H29N3O2S/c26-15-17-6-5-7-18(12-17)16-27-24(29)14-19-8-1-3-10-21(19)28-25(30)23-13-20-9-2-4-11-22(20)31-23/h1-4,8-11,13,17-18H,5-7,12,14-16,26H2,(H,27,29)(H,28,30)