1-[(E)-(2,2-dimethyl-1-oxidanidyl-3-oxidanyl-benzimidazol-1-ium-5-ylidene)methyl]imino-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-(2,2-dimethyl-1-oxidanidyl-3-oxidanyl-benzimidazol-1-ium-5-ylidene)methyl]imino-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-(3-hydroxy-2,2-dimethyl-1-oxido-benzimidazol-1-ium-5-ylidene)methyl]imino-thiourea CAS Name: 1-[(E)-(3-hydroxy-2,2-dimethyl-1-oxido-5-benzimidazol-1-iumylidene)methyl]imino-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-(3-hydroxy-2,2-dimethyl-1-oxidobenzimidazol-1-ium-5-ylidene)methyl]imino-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-(3-hydroxy-2,2-dimethyl-1-oxido-benzimidazol-1-ium-5-ylidene)methyl]imino-thiourea Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C2=CC(=CN=NC(=S)NCC=C)C=CC2=[N+]1[O-])O)C

Isomeric SMILES

CC1(N(C2=C/C(=C/N=NC(=S)NCC=C)/C=CC2=[N+]1[O-])O)C

InChI

InChI=1S/C14H17N5O2S/c1-4-7-15-13(22)17-16-9-10-5-6-11-12(8-10)19(21)14(2,3)18(11)20/h4-6,8-9,21H,1,7H2,2-3H3,(H,15,22)/b10-9+,17-16?