1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxy-3-oxidanyl-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxy-3-oxidanyl-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-hydroxy-4-methoxy-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-hydroxy-4-methoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-hydroxy-4-methoxyphenyl)thiourea Traditional Name: 1-(3-hydroxy-4-methoxy-phenyl)-3-piperonyl-thiourea Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-20-13-5-3-11(7-12(13)19)18-16(23)17-8-10-2-4-14-15(6-10)22-9-21-14/h2-7,19H,8-9H2,1H3,(H2,17,18,23)