1-(3-bromanylpropyl)-1-(1-methoxy-3-oxidanylidene-propan-2-yl)-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)urea

Systemtic Name: 1-(3-bromanylpropyl)-1-(1-methoxy-3-oxidanylidene-propan-2-yl)-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)urea Openeye Name: 3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-(3-bromopropyl)-1-(1-formyl-2-methoxy-ethyl)urea CAS Name: 1-(3-bromopropyl)-1-(1-methoxy-3-oxopropan-2-yl)-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)urea IUPAC Name: 1-(3-bromopropyl)-1-(1-methoxy-3-oxopropan-2-yl)-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)urea Traditional Name: 3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-(3-bromopropyl)-1-(1-formyl-2-methoxy-ethyl)urea Formula: C13H19BrN4O3S MolecularWeight: 391.28396

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C=O)N(CCCBr)C(=O)NC1=NN=C(S1)CC=C

Isomeric SMILES

COCC(C=O)N(CCCBr)C(=O)NC1=NN=C(S1)CC=C

InChI

InChI=1S/C13H19BrN4O3S/c1-3-5-11-16-17-12(22-11)15-13(20)18(7-4-6-14)10(8-19)9-21-2/h3,8,10H,1,4-7,9H2,2H3,(H,15,17,20)