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

Systemtic Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[5-[[[4-(aminomethyl)phenyl]methylamino]-oxomethyl]-2-methoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[5-[[4-(aminomethyl)benzyl]carbamoyl]-2-methoxy-phenyl]thiophene-2-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)CN)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H21N3O3S/c1-27-18-9-8-16(11-17(18)24-21(26)19-3-2-10-28-19)20(25)23-13-15-6-4-14(12-22)5-7-15/h2-11H,12-13,22H2,1H3,(H,23,25)(H,24,26)