1-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(3-chloranyl-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-chloro-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-chloro-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(3-chloro-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC(=S)NCC2=CC=CC=C2)C=C(C1=O)Cl

Isomeric SMILES

CCOC1=CC(=CNNC(=S)NCC2=CC=CC=C2)C=C(C1=O)Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-2-23-15-9-13(8-14(18)16(15)22)11-20-21-17(24)19-10-12-6-4-3-5-7-12/h3-9,11,20H,2,10H2,1H3,(H2,19,21,24)