1-[(Z)-[5,6-dimethoxy-2-oxidanylidene-1-(thiomorpholin-4-ylmethyl)indol-3-ylidene]amino]thiourea

Systemtic Name: 1-[(Z)-[5,6-dimethoxy-2-oxidanylidene-1-(thiomorpholin-4-ylmethyl)indol-3-ylidene]amino]thiourea Openeye Name: [(Z)-[5,6-dimethoxy-2-oxo-1-(thiomorpholinomethyl)indolin-3-ylidene]amino]thiourea CAS Name: [(Z)-[5,6-dimethoxy-2-oxo-1-(thiomorpholin-4-ylmethyl)-3-indolylidene]amino]thiourea IUPAC Name: [(Z)-[5,6-dimethoxy-2-oxo-1-(thiomorpholin-4-ylmethyl)indol-3-ylidene]amino]thiourea Traditional Name: [(Z)-[2-keto-5,6-dimethoxy-1-(thiomorpholinomethyl)indolin-3-ylidene]amino]thiourea Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NNC(=S)N)C(=O)N2CN3CCSCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)/C(=N/NC(=S)N)/C(=O)N2CN3CCSCC3)OC

InChI

InChI=1S/C16H21N5O3S2/c1-23-12-7-10-11(8-13(12)24-2)21(9-20-3-5-26-6-4-20)15(22)14(10)18-19-16(17)25/h7-8H,3-6,9H2,1-2H3,(H3,17,19,25)/b18-14-