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

Systemtic Name: 1-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)thiourea CAS Name: 1-(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)thiourea Traditional Name: 1-benzyl-3-(4-chloro-1-keto-3-propoxy-isochromen-7-yl)thiourea Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)NC(=S)NCC3=CC=CC=C3)C(=O)O1)Cl

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)NC(=S)NCC3=CC=CC=C3)C(=O)O1)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-2-10-25-19-17(21)15-9-8-14(11-16(15)18(24)26-19)23-20(27)22-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H2,22,23,27)