1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methyl-phenyl)thiourea CAS Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)thiourea IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)thiourea Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C17H17ClN2O2S/c1-10-3-5-13(8-14(10)18)20-17(23)19-11(2)12-4-6-15-16(7-12)22-9-21-15/h3-8,11H,9H2,1-2H3,(H2,19,20,23)