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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-chloro-2-methoxy-benzoyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-chloro-2-methoxybenzoyl)amino]thiourea Traditional Name: 1-[(5-chloro-2-methoxy-benzoyl)amino]-3-piperonyl-thiourea Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4S/c1-23-13-5-3-11(18)7-12(13)16(22)20-21-17(26)19-8-10-2-4-14-15(6-10)25-9-24-14/h2-7H,8-9H2,1H3,(H,20,22)(H2,19,21,26)