1-[3-(7-azanyl-4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropyl]thiourea

Systemtic Name: 1-[3-(7-azanyl-4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropyl]thiourea Openeye Name: 3-(7-amino-4-chloro-1-oxo-isochromen-3-yl)oxypropylthiourea CAS Name: 3-[(7-amino-4-chloro-1-oxo-2-benzopyran-3-yl)oxy]propylthiourea IUPAC Name: 3-(7-amino-4-chloro-1-oxoisochromen-3-yl)oxypropylthiourea Traditional Name: 3-(7-amino-4-chloro-1-keto-isochromen-3-yl)oxypropylthiourea Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)C(=O)OC(=C2Cl)OCCCNC(=S)N

Isomeric SMILES

C1=CC2=C(C=C1N)C(=O)OC(=C2Cl)OCCCNC(=S)N

InChI

InChI=1S/C13H14ClN3O3S/c14-10-8-3-2-7(15)6-9(8)11(18)20-12(10)19-5-1-4-17-13(16)21/h2-3,6H,1,4-5,15H2,(H3,16,17,21)