3-[bis(azanyl)methylideneamino]-N-phenyl-benzamide; 3-phenyl-3-sulfinyl-propanoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-N-phenyl-benzamide; 3-phenyl-3-sulfinyl-propanoic acid Openeye Name: 3-guanidino-N-phenyl-benzamide; 3-phenyl-3-sulfinyl-propanoic acid CAS Name: 3-(diaminomethylideneamino)-N-phenylbenzamide; 3-phenyl-3-sulfinylpropanoic acid IUPAC Name: 3-(diaminomethylideneamino)-N-phenylbenzamide; 3-phenyl-3-sulfinylpropanoic acid Traditional Name: 3-guanidino-N-phenyl-benzamide; 3-phenyl-3-sulfinyl-propionic acid Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=S=O)CC(=O)O.C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=S=O)CC(=O)O.C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N=C(N)N

InChI

InChI=1S/C14H14N4O.C9H8O3S/c15-14(16)18-12-8-4-5-10(9-12)13(19)17-11-6-2-1-3-7-11;10-9(11)6-8(13-12)7-4-2-1-3-5-7/h1-9H,(H,17,19)(H4,15,16,18);1-5H,6H2,(H,10,11)