1-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-phenyl-thiourea

Systemtic Name: 1-[3-(2-bromoethyloxy)-4-chloranyl-1-oxidanylidene-isochromen-7-yl]-3-phenyl-thiourea Openeye Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-phenyl-thiourea CAS Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxo-2-benzopyran-7-yl]-3-phenylthiourea IUPAC Name: 1-[3-(2-bromoethoxy)-4-chloro-1-oxoisochromen-7-yl]-3-phenylthiourea Traditional Name: 1-[3-(2-bromoethoxy)-4-chloro-1-keto-isochromen-7-yl]-3-phenyl-thiourea Formula: C18H14BrClN2O3S MolecularWeight: 453.73736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCBr)Cl

InChI

InChI=1S/C18H14BrClN2O3S/c19-8-9-24-17-15(20)13-7-6-12(10-14(13)16(23)25-17)22-18(26)21-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,21,22,26)