benzenecarbonothioyl (2S)-2-benzamido-3-[4-[bis(azanyl)methylideneamino]phenyl]propanoate

Systemtic Name: benzenecarbonothioyl (2S)-2-benzamido-3-[4-[bis(azanyl)methylideneamino]phenyl]propanoate Openeye Name: benzenecarbonothioyl (2S)-2-benzamido-3-(4-guanidinophenyl)propanoate CAS Name: (2S)-2-benzamido-3-[4-(diaminomethylideneamino)phenyl]propanoic acid benzenecarbonothioyl ester IUPAC Name: benzenecarbonothioyl (2S)-2-benzamido-3-[4-(diaminomethylideneamino)phenyl]propanoate Traditional Name: (2S)-2-benzamido-3-(4-guanidinophenyl)propionic acid benzenecarbonothioyl ester Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)N=C(N)N)C(=O)OC(=S)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)N=C(N)N)C(=O)OC(=S)C3=CC=CC=C3

InChI

InChI=1S/C24H22N4O3S/c25-24(26)27-19-13-11-16(12-14-19)15-20(28-21(29)17-7-3-1-4-8-17)22(30)31-23(32)18-9-5-2-6-10-18/h1-14,20H,15H2,(H,28,29)(H4,25,26,27)/t20-/m0/s1