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

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(7-chloropiperonyloyl)amino]thiourea Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C14H18ClN3O3S/c1-2-3-4-5-16-14(22)18-17-13(19)9-6-10(15)12-11(7-9)20-8-21-12/h6-7H,2-5,8H2,1H3,(H,17,19)(H2,16,18,22)