1-(4-butylphenyl)-3-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(7-chloropiperonyloyl)amino]thiourea Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H20ClN3O3S/c1-2-3-4-12-5-7-14(8-6-12)21-19(27)23-22-18(24)13-9-15(20)17-16(10-13)25-11-26-17/h5-10H,2-4,11H2,1H3,(H,22,24)(H2,21,23,27)