1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-[(2S)-2-methylheptyl]thiourea Openeye Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea CAS Name: 1-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-[(2S)-2-methylheptyl]thiourea Traditional Name: 1-[(7-chloropiperonyloyl)amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C17H24ClN3O3S MolecularWeight: 385.90876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C17H24ClN3O3S/c1-3-4-5-6-11(2)9-19-17(25)21-20-16(22)12-7-13(18)15-14(8-12)23-10-24-15/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,22)(H2,19,21,25)/t11-/m0/s1