methyl 2-[[(4-bromophenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-bromophenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(4-bromophenyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-[(4-bromophenyl)methylidene]hydrazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-bromophenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(4-bromobenzylidene)amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-25-17(23)15-13-4-2-3-5-14(13)26-16(15)21-18(24)22-20-10-11-6-8-12(19)9-7-11/h6-10H,2-5H2,1H3,(H2,21,22,24)