1-butyl-3-[(Z)-[1-(morpholin-4-ylmethyl)-5-nitro-2-oxidanylidene-indol-3-ylidene]amino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-[1-(morpholin-4-ylmethyl)-5-nitro-2-oxidanylidene-indol-3-ylidene]amino]thiourea Openeye Name: 1-butyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea CAS Name: 1-butyl-3-[(Z)-[1-(4-morpholinylmethyl)-5-nitro-2-oxo-3-indolylidene]amino]thiourea IUPAC Name: 1-butyl-3-[(Z)-[1-(morpholin-4-ylmethyl)-5-nitro-2-oxoindol-3-ylidene]amino]thiourea Traditional Name: 1-butyl-3-[(Z)-[2-keto-1-(morpholinomethyl)-5-nitro-indolin-3-ylidene]amino]thiourea Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CN3CCOCC3

Isomeric SMILES

CCCCNC(=S)N/N=C\1/C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CN3CCOCC3

InChI

InChI=1S/C18H24N6O4S/c1-2-3-6-19-18(29)21-20-16-14-11-13(24(26)27)4-5-15(14)23(17(16)25)12-22-7-9-28-10-8-22/h4-5,11H,2-3,6-10,12H2,1H3,(H2,19,21,29)/b20-16-