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

Systemtic Name: ethyl 3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]butanoate Openeye Name: ethyl 3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]butanoate CAS Name: 3-[[[[4-(dimethylamino)-1,2-benzoxazol-3-yl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]butanoate Traditional Name: 3-[[4-(dimethylamino)indoxazen-3-yl]thiocarbamoylamino]butyric acid ethyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=S)NC1=NOC2=CC=CC(=C21)N(C)C

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)NC1=NOC2=CC=CC(=C21)N(C)C

InChI

InChI=1S/C16H22N4O3S/c1-5-22-13(21)9-10(2)17-16(24)18-15-14-11(20(3)4)7-6-8-12(14)23-19-15/h6-8,10H,5,9H2,1-4H3,(H2,17,18,19,24)