N-(1,3-benzodioxol-5-yl)-2-[bis(azanyl)methylideneamino]-4-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[bis(azanyl)methylideneamino]-4-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-guanidino-4-phenyl-thiazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(diaminomethylideneamino)-4-phenyl-5-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(diaminomethylideneamino)-4-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-guanidino-4-phenyl-thiazole-5-carboxamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(N=C(S3)N=C(N)N)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(N=C(S3)N=C(N)N)C4=CC=CC=C4

InChI

InChI=1S/C18H15N5O3S/c19-17(20)23-18-22-14(10-4-2-1-3-5-10)15(27-18)16(24)21-11-6-7-12-13(8-11)26-9-25-12/h1-8H,9H2,(H,21,24)(H4,19,20,22,23)