1-azanylthiourea; 3-chloranyl-5-methoxy-4-(2-phenoxyethoxy)benzaldehyde

Systemtic Name: 1-azanylthiourea; 3-chloranyl-5-methoxy-4-(2-phenoxyethoxy)benzaldehyde Openeye Name: aminothiourea; 3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzaldehyde CAS Name: aminothiourea; 3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzaldehyde IUPAC Name: aminothiourea; 3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzaldehyde Traditional Name: aminothiourea; 3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzaldehyde Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=O)Cl)OCCOC2=CC=CC=C2.C(=S)(N)NN

Isomeric SMILES

COC1=C(C(=CC(=C1)C=O)Cl)OCCOC2=CC=CC=C2.C(=S)(N)NN

InChI

InChI=1S/C16H15ClO4.CH5N3S/c1-19-15-10-12(11-18)9-14(17)16(15)21-8-7-20-13-5-3-2-4-6-13;2-1(5)4-3/h2-6,9-11H,7-8H2,1H3;3H2,(H3,2,4,5)