ethyl 1-[C-[4-[[2-[(4-bromophenyl)carbamothioylamino]-2-phenyl-ethanoyl]amino]phenyl]carbonimidoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[C-[4-[[2-[(4-bromophenyl)carbamothioylamino]-2-phenyl-ethanoyl]amino]phenyl]carbonimidoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[2-[(4-bromophenyl)carbamothioylamino]-2-phenyl-acetyl]amino]benzenecarboximidoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[2-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-1-oxo-2-phenylethyl]amino]phenyl]-iminomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[2-[(4-bromophenyl)carbamothioylamino]-2-phenylacetyl]amino]benzenecarboximidoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[2-[(4-bromophenyl)thiocarbamoylamino]-2-phenyl-acetyl]amino]benzimidoyl]isonipecotic acid ethyl ester Formula: C30H32BrN5O3S MolecularWeight: 622.57578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=N)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)NC(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=N)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)NC(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C30H32BrN5O3S/c1-2-39-29(38)22-16-18-36(19-17-22)27(32)21-8-12-24(13-9-21)33-28(37)26(20-6-4-3-5-7-20)35-30(40)34-25-14-10-23(31)11-15-25/h3-15,22,26,32H,2,16-19H2,1H3,(H,33,37)(H2,34,35,40)