N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-isopropyl-amino]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]propanamide Traditional Name: 3-[[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-isopropyl-amino]-N-piperonyl-propionamide Formula: C23H25ClN4O3S MolecularWeight: 472.9876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)NCC1=CC2=C(C=C1)OCO2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)N(CCC(=O)NCC1=CC2=C(C=C1)OCO2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-15(2)28(23-26-21(27-32-23)12-16-3-6-18(24)7-4-16)10-9-22(29)25-13-17-5-8-19-20(11-17)31-14-30-19/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,25,29)