1-[3-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]thiourea

Systemtic Name: 1-[3-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]thiourea Openeye Name: [3-[4-(2-furylmethyl)-1,4-diazepane-1-carbonyl]phenyl]thiourea CAS Name: [3-[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]thiourea IUPAC Name: [3-[4-(furan-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]thiourea Traditional Name: [3-[4-(2-furfuryl)-1,4-diazepane-1-carbonyl]phenyl]thiourea Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=S)N)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=S)N)CC3=CC=CO3

InChI

InChI=1S/C18H22N4O2S/c19-18(25)20-15-5-1-4-14(12-15)17(23)22-8-3-7-21(9-10-22)13-16-6-2-11-24-16/h1-2,4-6,11-12H,3,7-10,13H2,(H3,19,20,25)