methyl 4-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoate CAS Name: 4-[[[[4-(dimethylamino)-1,2-benzoxazol-3-yl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(dimethylamino)indoxazen-3-yl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=CC=C1)ON=C2NC(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)C1=C2C(=CC=C1)ON=C2NC(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O3S/c1-22(2)13-5-4-6-14-15(13)16(21-25-14)20-18(26)19-12-9-7-11(8-10-12)17(23)24-3/h4-10H,1-3H3,(H2,19,20,21,26)