N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: N-[5-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]benzothiophene-2-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H29N3O2S/c1-16-9-10-20(24(29)27-15-18-6-4-5-17(11-18)14-26)12-21(16)28-25(30)23-13-19-7-2-3-8-22(19)31-23/h2-3,7-10,12-13,17-18H,4-6,11,14-15,26H2,1H3,(H,27,29)(H,28,30)