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

Systemtic Name: ethyl 4-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(dimethylamino)indoxazen-3-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-4-25-18(24)12-8-10-13(11-9-12)20-19(27)21-17-16-14(23(2)3)6-5-7-15(16)26-22-17/h5-11H,4H2,1-3H3,(H2,20,21,22,27)