1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea CAS Name: 1-[[2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]amino]-3-[(4-chlorophenyl)methyl]thiourea IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-[(4-chlorophenyl)methyl]thiourea Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]-3-(4-chlorobenzyl)thiourea Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCC1=CC=C(C=C1)Cl)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)NNC(=S)NCC1=CC=C(C=C1)Cl)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18ClN3O4S/c1-11(26-14-6-7-15-16(8-14)25-10-24-15)17(23)21-22-18(27)20-9-12-2-4-13(19)5-3-12/h2-8,11H,9-10H2,1H3,(H,21,23)(H2,20,22,27)