N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide CAS Name: N-[5-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-2-methylphenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]thiophene-2-carboxamide Traditional Name: N-[5-[[4-(aminomethyl)benzyl]carbamoyl]-2-methyl-phenyl]thiophene-2-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21N3O2S/c1-14-4-9-17(11-18(14)24-21(26)19-3-2-10-27-19)20(25)23-13-16-7-5-15(12-22)6-8-16/h2-11H,12-13,22H2,1H3,(H,23,25)(H,24,26)