N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxo-ethyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxoethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[2-[[4-(aminomethyl)phenyl]methylamino]-2-oxoethyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[2-[[4-(aminomethyl)benzyl]amino]-2-keto-ethyl]phenyl]thiophene-2-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c22-13-15-7-9-16(10-8-15)14-23-20(25)12-17-4-1-2-5-18(17)24-21(26)19-6-3-11-27-19/h1-11H,12-14,22H2,(H,23,25)(H,24,26)