1-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[4-(dimethylamino)-1,2-benzoxazol-3-yl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[4-(dimethylamino)-1,2-benzoxazol-3-yl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[4-(dimethylamino)-1,2-benzoxazol-3-yl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[4-(dimethylamino)indoxazen-3-yl]thiourea Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC3=CC=CC(=C32)N(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC3=CC=CC(=C32)N(C)C

InChI

InChI=1S/C18H18N4O2S/c1-11(23)12-7-9-13(10-8-12)19-18(25)20-17-16-14(22(2)3)5-4-6-15(16)24-21-17/h4-10H,1-3H3,(H2,19,20,21,25)