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

Systemtic Name: ethyl 3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]propanoate Openeye Name: ethyl 3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]propanoate CAS Name: 3-[[[[4-(dimethylamino)-1,2-benzoxazol-3-yl]amino]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]propanoate Traditional Name: 3-[[4-(dimethylamino)indoxazen-3-yl]thiocarbamoylamino]propionic acid ethyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-4-21-12(20)8-9-16-15(23)17-14-13-10(19(2)3)6-5-7-11(13)22-18-14/h5-7H,4,8-9H2,1-3H3,(H2,16,17,18,23)