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

Systemtic Name: benzenecarbonothioyl (2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoate hydrochloride Openeye Name: benzenecarbonothioyl (2S)-2-benzamido-5-guanidino-pentanoate hydrochloride CAS Name: (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoic acid benzenecarbonothioyl ester hydrochloride IUPAC Name: benzenecarbonothioyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate hydrochloride Traditional Name: (2S)-2-benzamido-5-guanidino-valeric acid benzenecarbonothioyl ester hydrochloride Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S.ClH/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);1H/t16-;/m0./s1