1-(5-chloranylthiophen-2-yl)sulfonyl-3-[3-isocyano-4-(3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl)phenyl]-2-methyl-guanidine

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-3-[3-isocyano-4-(3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl)phenyl]-2-methyl-guanidine Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-3-[3-isocyano-4-(3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)phenyl]-2-methyl-guanidine CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[3-isocyano-4-(3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)phenyl]-2-methylguanidine IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-isocyano-4-(3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)phenyl]-2-methylguanidine Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-3-[3-isocyano-4-(3-keto-4,5-dihydro-1H-2-benzazepin-2-yl)phenyl]-2-methyl-guanidine Formula: C23H20ClN5O3S2 MolecularWeight: 514.0196

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC(=C(C=C1)N2CC3=CC=CC=C3CCC2=O)[N+]#[C-])NS(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CN=C(NC1=CC(=C(C=C1)N2CC3=CC=CC=C3CCC2=O)[N+]#[C-])NS(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C23H20ClN5O3S2/c1-25-18-13-17(27-23(26-2)28-34(31,32)22-12-10-20(24)33-22)8-9-19(18)29-14-16-6-4-3-5-15(16)7-11-21(29)30/h3-6,8-10,12-13H,7,11,14H2,2H3,(H2,26,27,28)