methyl 2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-4-chloranyl-benzoate Openeye Name: methyl 2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-4-chloro-benzoate CAS Name: 2-[[[[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-4-chlorobenzoate Traditional Name: 2-[[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-4-chloro-benzoic acid methyl ester Formula: C17H20ClN5O3S MolecularWeight: 409.8904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NC2=NN=C(S2)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)NC2=NN=C(S2)N3CCCCCC3

InChI

InChI=1S/C17H20ClN5O3S/c1-26-14(24)12-7-6-11(18)10-13(12)19-15(25)20-16-21-22-17(27-16)23-8-4-2-3-5-9-23/h6-7,10H,2-5,8-9H2,1H3,(H2,19,20,21,25)