benzenecarbonothioyl (2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: benzenecarbonothioyl (2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: benzenecarbonothioyl (2S)-2-benzamido-5-guanidino-pentanoate CAS Name: (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoic acid benzenecarbonothioyl ester IUPAC Name: benzenecarbonothioyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate Traditional Name: (2S)-2-benzamido-5-guanidino-valeric acid benzenecarbonothioyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c21-20(22)23-13-7-12-16(24-17(25)14-8-3-1-4-9-14)18(26)27-19(28)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,24,25)(H4,21,22,23)/t16-/m0/s1