N-[[3-(aminomethyl)phenyl]methyl]-4-[[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-prop-2-enyl-amino]methyl]benzamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-4-[[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-prop-2-enyl-amino]methyl]benzamide Openeye Name: 4-[[allyl-[4-(2-methoxyphenyl)thiazol-2-yl]amino]methyl]-N-[[3-(aminomethyl)phenyl]methyl]benzamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-4-[[[4-(2-methoxyphenyl)-2-thiazolyl]-prop-2-enylamino]methyl]benzamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-4-[[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-prop-2-enylamino]methyl]benzamide Traditional Name: 4-[[allyl-[4-(2-methoxyphenyl)thiazol-2-yl]amino]methyl]-N-[3-(aminomethyl)benzyl]benzamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CSC(=N2)N(CC=C)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC(=C4)CN

Isomeric SMILES

COC1=CC=CC=C1C2=CSC(=N2)N(CC=C)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC(=C4)CN

InChI

InChI=1S/C29H30N4O2S/c1-3-15-33(29-32-26(20-36-29)25-9-4-5-10-27(25)35-2)19-21-11-13-24(14-12-21)28(34)31-18-23-8-6-7-22(16-23)17-30/h3-14,16,20H,1,15,17-19,30H2,2H3,(H,31,34)