1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[(7-chloropiperonyloyl)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC3=C(C(=C2)Cl)OCO3)C

InChI

InChI=1S/C18H18ClN3O3S/c1-3-11-6-4-5-10(2)15(11)20-18(26)22-21-17(23)12-7-13(19)16-14(8-12)24-9-25-16/h4-8H,3,9H2,1-2H3,(H,21,23)(H2,20,22,26)