N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-2-methylphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-14-10-17(7-8-18(14)24-21(26)19-6-3-9-27-19)20(25)23-13-16-5-2-4-15(11-16)12-22/h3,6-10,15-16H,2,4-5,11-13,22H2,1H3,(H,23,25)(H,24,26)