N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-chlorophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[[(3-chloroanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3-chlorophenyl)carbamoyl-isopropyl-amino]methyl]-N-piperonyl-thiazole-4-carboxamide Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=CS1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)N(CC1=NC(=CS1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O4S/c1-14(2)28(23(30)26-17-5-3-4-16(24)9-17)11-21-27-18(12-33-21)22(29)25-10-15-6-7-19-20(8-15)32-13-31-19/h3-9,12,14H,10-11,13H2,1-2H3,(H,25,29)(H,26,30)