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

Systemtic Name: 2-sulfanylideneethyl (2S)-2-benzamido-3-[4-[bis(azanyl)methylideneamino]phenyl]propanoate Openeye Name: 2-thioxoethyl (2S)-2-benzamido-3-(4-guanidinophenyl)propanoate CAS Name: (2S)-2-benzamido-3-[4-(diaminomethylideneamino)phenyl]propanoic acid 2-sulfanylideneethyl ester IUPAC Name: 2-sulfanylideneethyl (2S)-2-benzamido-3-[4-(diaminomethylideneamino)phenyl]propanoate Traditional Name: (2S)-2-benzamido-3-(4-guanidinophenyl)propionic acid 2-thioxoethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

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)OCC=S

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c20-19(21)22-15-8-6-13(7-9-15)12-16(18(25)26-10-11-27)23-17(24)14-4-2-1-3-5-14/h1-9,11,16H,10,12H2,(H,23,24)(H4,20,21,22)/t16-/m0/s1