cycloheptyl-[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamothioylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cycloheptyl-[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamothioylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: cycloheptyl-[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-thienyl]carbamothioylamino]-2-oxo-ethyl]ammonium CAS Name: cycloheptyl-[2-[[[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-sulfanylidenemethyl]amino]-2-oxoethyl]ammonium IUPAC Name: cycloheptyl-[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamothioylamino]-2-oxoethyl]azanium Traditional Name: [2-[[3-carbethoxy-4-(3,4-dimethoxyphenyl)-2-thienyl]thiocarbamoylamino]-2-keto-ethyl]-cycloheptyl-ammonium Formula: C25H34N3O5S2+ MolecularWeight: 520.68456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC(=O)C[NH2+]C3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC(=O)C[NH2+]C3CCCCCC3

InChI

InChI=1S/C25H33N3O5S2/c1-4-33-24(30)22-18(16-11-12-19(31-2)20(13-16)32-3)15-35-23(22)28-25(34)27-21(29)14-26-17-9-7-5-6-8-10-17/h11-13,15,17,26H,4-10,14H2,1-3H3,(H2,27,28,29,34)/p+1