1-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-phenyl-thiourea

Systemtic Name: 1-[7-(4-methylphenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-phenyl-thiourea Openeye Name: 1-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-phenyl-thiourea CAS Name: 1-[7-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-3-phenylthiourea IUPAC Name: 1-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-phenylthiourea Traditional Name: 1-phenyl-3-(7-p-toluoyl-2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=S)NC4=CC=CC=C4)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=S)NC4=CC=CC=C4)OCCO3

InChI

InChI=1S/C23H20N2O3S/c1-15-7-9-16(10-8-15)22(26)18-13-20-21(28-12-11-27-20)14-19(18)25-23(29)24-17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H2,24,25,29)