5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-N-prop-2-enyl-pyrrole-3-carboxamide

Systemtic Name: 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-N-prop-2-enyl-pyrrole-3-carboxamide Openeye Name: N-allyl-5-[2-(2-chlorophenyl)thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 5-[2-(2-chlorophenyl)-4-thiazolyl]-1-(cyclohexylmethyl)-2-methyl-N-prop-2-enyl-3-pyrrolecarboxamide IUPAC Name: 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-N-prop-2-enylpyrrole-3-carboxamide Traditional Name: N-allyl-5-[2-(2-chlorophenyl)thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxamide Formula: C25H28ClN3OS MolecularWeight: 454.02732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC=CC=C4Cl)C(=O)NCC=C

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC=CC=C4Cl)C(=O)NCC=C

InChI

InChI=1S/C25H28ClN3OS/c1-3-13-27-24(30)20-14-23(29(17(20)2)15-18-9-5-4-6-10-18)22-16-31-25(28-22)19-11-7-8-12-21(19)26/h3,7-8,11-12,14,16,18H,1,4-6,9-10,13,15H2,2H3,(H,27,30)