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

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[(7-chloropiperonyloyl)amino]-3-p-anisyl-thiourea Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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