1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-methoxy-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-methoxy-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxy-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)thiourea Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-piperonyl-thiourea Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15ClN2O3S/c1-20-13-5-3-11(17)7-12(13)19-16(23)18-8-10-2-4-14-15(6-10)22-9-21-14/h2-7H,8-9H2,1H3,(H2,18,19,23)