1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxy-4-propan-2-yloxy-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxy-4-propan-2-yloxy-phenyl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-isopropoxy-3-methoxy-benzoyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(3-methoxy-4-propan-2-yloxyphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]thiourea Traditional Name: 1-[(4-isopropoxy-3-methoxy-benzoyl)amino]-3-piperonyl-thiourea Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C20H23N3O5S/c1-12(2)28-16-7-5-14(9-17(16)25-3)19(24)22-23-20(29)21-10-13-4-6-15-18(8-13)27-11-26-15/h4-9,12H,10-11H2,1-3H3,(H,22,24)(H2,21,23,29)