5-[4-(2-azanylethyl)phenyl]-2-azanylidene-N-[(4-chlorophenyl)methyl]-3-phenethyl-1,3-thiazole-4-carboxamide

Systemtic Name: 5-[4-(2-azanylethyl)phenyl]-2-azanylidene-N-[(4-chlorophenyl)methyl]-3-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 5-[4-(2-aminoethyl)phenyl]-N-[(4-chlorophenyl)methyl]-2-imino-3-phenethyl-thiazole-4-carboxamide CAS Name: 5-[4-(2-aminoethyl)phenyl]-N-[(4-chlorophenyl)methyl]-2-imino-3-phenethyl-4-thiazolecarboxamide IUPAC Name: 5-[4-(2-aminoethyl)phenyl]-N-[(4-chlorophenyl)methyl]-2-imino-3-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 5-[4-(2-aminoethyl)phenyl]-N-(4-chlorobenzyl)-2-imino-3-phenethyl-4-thiazoline-4-carboxamide Formula: C27H27ClN4OS MolecularWeight: 491.04748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=C(SC2=N)C3=CC=C(C=C3)CCN)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=C(SC2=N)C3=CC=C(C=C3)CCN)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H27ClN4OS/c28-23-12-8-21(9-13-23)18-31-26(33)24-25(22-10-6-20(7-11-22)14-16-29)34-27(30)32(24)17-15-19-4-2-1-3-5-19/h1-13,30H,14-18,29H2,(H,31,33)