1-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-phenyl-thiourea

Systemtic Name: 1-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-phenyl-thiourea Openeye Name: 1-(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)-3-phenyl-thiourea CAS Name: 1-(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)-3-phenylthiourea IUPAC Name: 1-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylthiourea Traditional Name: 1-(4-chloro-1-keto-3-propoxy-isochromen-7-yl)-3-phenyl-thiourea Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)NC(=S)NC3=CC=CC=C3)C(=O)O1)Cl

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)NC(=S)NC3=CC=CC=C3)C(=O)O1)Cl

InChI

InChI=1S/C19H17ClN2O3S/c1-2-10-24-18-16(20)14-9-8-13(11-15(14)17(23)25-18)22-19(26)21-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H2,21,22,26)