1-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]-3-phenyl-thiourea

Systemtic Name: 1-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]-3-phenyl-thiourea Openeye Name: 1-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonyl]-3-phenyl-thiourea CAS Name: 1-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonyl]-3-phenylthiourea IUPAC Name: 1-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]-3-phenylthiourea Traditional Name: 1-(2,2,4,6,7-pentamethylcoumaran-5-yl)sulfonyl-3-phenyl-thiourea Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=S)NC3=CC=CC=C3)C)CC(O2)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=S)NC3=CC=CC=C3)C)CC(O2)(C)C

InChI

InChI=1S/C20H24N2O3S2/c1-12-13(2)18(14(3)16-11-20(4,5)25-17(12)16)27(23,24)22-19(26)21-15-9-7-6-8-10-15/h6-10H,11H2,1-5H3,(H2,21,22,26)