N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloranyl-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloranyl-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-6-nitro-benzothiophene-2-carboxamide CAS Name: N-[(E)-amino(1,3-benzoxazol-2-ylimino)methyl]-3-chloro-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-N'-(1,3-benzoxazol-2-yl)amidino]-3-chloro-6-nitro-benzothiophene-2-carboxamide Formula: C17H10ClN5O4S MolecularWeight: 415.8104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)N=C(N)NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)/N=C(\N)/NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10ClN5O4S/c18-13-9-6-5-8(23(25)26)7-12(9)28-14(13)15(24)21-16(19)22-17-20-10-3-1-2-4-11(10)27-17/h1-7H,(H3,19,20,21,22,24)